| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| Gene | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|
| Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| IRE1 | IRE1_YEAST | 3LJ2A | P32361 | 665 | 1115 | 1115.0 | IZA:1 | Type1 | Inactive | DFGin | 5.9463 | 14.1047 | ABAminus | -134.11, -29.21 | -103.96, 101.1 | -105.66, 14.03 | 294.34, 66.42 | -66.28, -46.88 | in-in | in | 9.1819 | Saltbr-in | 3.4434 | HRD-out | -66.97, 141.77 | -110.32, -6.86 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8057 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -31.36 | APE8-rot-none | 999.0 | APE67-dihe-in | -68.73, -29.06 | -119.26, 28.12 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.33 | 0.256 | 0.293 | A | 434.0 | 407.0 | 20 | 32 | 25 | 7 | [[672, 977]] | 1.0 | 3lj2 | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3LJ2B | P32361 | 665 | 1115 | 1115.0 | IZA:1 | Type1 | Inactive | DFGin | 5.9268 | 14.0513 | ABAminus | -135.45, -27.25 | -103.53, 103.68 | -105.95, 11.89 | 293.73, 66.79 | -67.41, -44.42 | in-in | in | 9.1852 | Saltbr-in | 3.3472 | HRD-out | -74.66, 131.68 | -106.03, -3.68 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7942 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -33.63 | APE8-rot-none | 999.0 | APE67-dihe-in | -74.43, -20.72 | -115.58, 29.84 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.33 | 0.256 | 0.293 | B | 434.0 | 407.0 | 20 | 32 | 25 | 7 | [[672, 977]] | 1.0 | 3lj2 | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 2RIOB | P32361 | 665 | 1115 | 1115.0 | ADP:62101 | ATPlike | Inactive | DFGin | 5.1319 | 14.4012 | BLAminus | -133.23, -169.67 | 57.3, 77.4 | -91.55, 18.06 | 279.67, 55.41 | -50.86, -27.7 | in-in | in | 9.9668 | Saltbr-in | 3.5542 | HRD-in | -79.44, -44.63 | 66.11, 11.75 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7644 | ActLoopCT-out | nonTYR | APEdihe_aanoi | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 139.02 | APE8-rot-out | 206.66 | APE67-dihe-in | -67.78, -12.45 | -143.81, 21.75 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.4 | 0.224 | 0.266 | B | 434.0 | 395.0 | 27 | 32 | 18 | 14 | [[672, 977]] | 1.0 | 2rio | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDMA | P32361 | 670 | 1115 | 1115.0 | No_ligand | No_ligand | Inactive | DFGin | 5.6926 | 14.0047 | BLAminus | -155.77, -172.7 | 52.42, 76.08 | -90.21, 17.19 | 285.11, 54.54 | -51.53, -48.42 | in-in | in | 8.2091 | Saltbr-in | 2.8907 | HRD-out | -65.18, 168.64 | -143.39, -39.44 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9093 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.5, -70.89 | APE9-dihe-na | -48.31, -43.76 | APE8-dihe-out | -62.42, -22.67 | APE8-rot-in | 321.24 | APE67-dihe-in | -67.48, -6.28 | -81.24, 4.59 | APE12-dist-in | 11.8592 | APE11-dist-in | 13.3507 | APE10-dist-out | 16.8973 | APE9-dist-out | 12.4404 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 6.6 | 0.287 | 0.317 | A | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdm | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDMB | P32361 | 670 | 1115 | 1115.0 | No_ligand | No_ligand | Inactive | DFGin | 5.6928 | 14.0052 | BLAminus | -155.78, -172.69 | 52.36, 76.17 | -90.23, 17.14 | 285.14, 54.6 | -51.53, -48.35 | in-in | in | 8.2085 | Saltbr-in | 2.8893 | HRD-out | -65.18, 168.61 | -143.39, -39.42 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9102 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.49, -70.9 | APE9-dihe-na | -48.31, -43.76 | APE8-dihe-out | -62.43, -22.62 | APE8-rot-in | 321.23 | APE67-dihe-in | -67.43, -6.3 | -81.2, 4.51 | APE12-dist-in | 11.858 | APE11-dist-in | 13.3501 | APE10-dist-out | 16.897 | APE9-dist-out | 12.4406 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 6.6 | 0.287 | 0.317 | B | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdm | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDMC | P32361 | 670 | 1115 | 1115.0 | No_ligand | No_ligand | Inactive | DFGin | 5.6923 | 14.0044 | BLAminus | -155.81, -172.76 | 52.44, 76.14 | -90.25, 17.18 | 285.11, 54.58 | -51.58, -48.34 | in-in | in | 8.2093 | Saltbr-in | 2.889 | HRD-out | -65.21, 168.67 | -143.42, -39.43 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9087 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.47, -70.92 | APE9-dihe-na | -48.35, -43.74 | APE8-dihe-out | -62.46, -22.62 | APE8-rot-in | 321.21 | APE67-dihe-in | -67.54, -6.26 | -81.24, 4.58 | APE12-dist-in | 11.8582 | APE11-dist-in | 13.3504 | APE10-dist-out | 16.8971 | APE9-dist-out | 12.4408 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 6.6 | 0.287 | 0.317 | C | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdm | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDMD | P32361 | 670 | 1115 | 1115.0 | No_ligand | No_ligand | Inactive | DFGin | 5.6926 | 14.0046 | BLAminus | -155.78, -172.65 | 52.37, 76.12 | -90.17, 17.06 | 285.19, 54.57 | -51.42, -48.44 | in-in | in | 8.2086 | Saltbr-in | 2.8896 | HRD-out | -65.13, 168.63 | -143.41, -39.39 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9093 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.44, -70.88 | APE9-dihe-na | -48.41, -43.68 | APE8-dihe-out | -62.43, -22.66 | APE8-rot-in | 321.23 | APE67-dihe-in | -67.48, -6.26 | -81.19, 4.54 | APE12-dist-in | 11.8588 | APE11-dist-in | 13.3506 | APE10-dist-out | 16.8974 | APE9-dist-out | 12.4404 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 6.6 | 0.287 | 0.317 | D | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdm | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDME | P32361 | 670 | 1115 | 1115.0 | No_ligand | No_ligand | Inactive | DFGin | 5.6931 | 14.0042 | BLAminus | -155.84, -172.75 | 52.44, 76.1 | -90.19, 17.11 | 285.16, 54.58 | -51.46, -48.45 | in-in | in | 8.2089 | Saltbr-in | 2.8893 | HRD-out | -65.21, 168.6 | -143.37, -39.44 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9095 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.48, -70.86 | APE9-dihe-na | -48.37, -43.74 | APE8-dihe-out | -62.39, -22.7 | APE8-rot-in | 321.26 | APE67-dihe-in | -67.58, -6.21 | -81.19, 4.58 | APE12-dist-in | 11.8592 | APE11-dist-in | 13.3504 | APE10-dist-out | 16.8966 | APE9-dist-out | 12.4409 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 6.6 | 0.287 | 0.317 | E | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdm | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDMF | P32361 | 670 | 1115 | 1115.0 | No_ligand | No_ligand | Inactive | DFGin | 5.6921 | 14.0051 | BLAminus | -155.79, -172.7 | 52.37, 76.14 | -90.22, 17.12 | 285.18, 54.56 | -51.5, -48.44 | in-in | in | 8.2091 | Saltbr-in | 2.8902 | HRD-out | -65.22, 168.69 | -143.45, -39.38 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9092 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.56, -70.89 | APE9-dihe-na | -48.41, -43.72 | APE8-dihe-out | -62.35, -22.68 | APE8-rot-in | 321.25 | APE67-dihe-in | -67.54, -6.21 | -81.27, 4.61 | APE12-dist-in | 11.8581 | APE11-dist-in | 13.3506 | APE10-dist-out | 16.8966 | APE9-dist-out | 12.4413 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 6.6 | 0.287 | 0.317 | F | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdm | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDMG | P32361 | 670 | 1115 | 1115.0 | No_ligand | No_ligand | Inactive | DFGin | 5.6927 | 14.0054 | BLAminus | -155.85, -172.78 | 52.47, 76.08 | -90.24, 17.17 | 285.13, 54.6 | -51.47, -48.43 | in-in | in | 8.2086 | Saltbr-in | 2.89 | HRD-out | -65.21, 168.73 | -143.48, -39.39 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9093 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.5, -70.88 | APE9-dihe-na | -48.4, -43.7 | APE8-dihe-out | -62.42, -22.66 | APE8-rot-in | 321.24 | APE67-dihe-in | -67.44, -6.3 | -81.19, 4.5 | APE12-dist-in | 11.8591 | APE11-dist-in | 13.3505 | APE10-dist-out | 16.8979 | APE9-dist-out | 12.4408 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 6.6 | 0.287 | 0.317 | G | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdm | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVA | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7045 | 14.0181 | BLAminus | -155.94, -171.83 | 51.84, 75.56 | -90.71, 16.67 | 284.93, 54.03 | -51.12, -47.5 | in-in | in | 8.2265 | Saltbr-in | 2.882 | HRD-out | -65.37, 168.2 | -142.48, -40.22 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9201 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.64, -71.57 | APE9-dihe-na | -48.48, -43.22 | APE8-dihe-out | -62.92, -22.72 | APE8-rot-in | 321.13 | APE67-dihe-in | -67.45, -5.69 | -81.19, 4.2 | APE12-dist-in | 11.8641 | APE11-dist-in | 13.3547 | APE10-dist-out | 16.9216 | APE9-dist-out | 12.4144 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | A | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVB | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6927 | 14.0049 | BLAminus | -155.81, -172.72 | 52.4, 76.14 | -90.25, 17.16 | 285.13, 54.57 | -51.5, -48.41 | in-in | in | 8.2089 | Saltbr-in | 2.8896 | HRD-out | -65.21, 168.65 | -143.41, -39.41 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9094 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.49, -70.89 | APE9-dihe-na | -48.37, -43.74 | APE8-dihe-out | -62.39, -22.65 | APE8-rot-in | 321.26 | APE67-dihe-in | -67.5, -6.25 | -81.2, 4.55 | APE12-dist-in | 11.8586 | APE11-dist-in | 13.3504 | APE10-dist-out | 16.897 | APE9-dist-out | 12.4411 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | B | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVC | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7014 | 14.0225 | BLAminus | -155.56, -172.1 | 52.0, 74.67 | -89.02, 16.83 | 285.94, 55.3 | -51.44, -48.21 | in-in | in | 8.2125 | Saltbr-in | 2.8597 | HRD-out | -65.9, 169.36 | -142.91, -40.42 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8918 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -67.96, -71.8 | APE9-dihe-na | -48.56, -43.53 | APE8-dihe-out | -62.69, -22.67 | APE8-rot-in | 320.74 | APE67-dihe-in | -66.41, -6.37 | -80.68, 3.45 | APE12-dist-in | 11.8607 | APE11-dist-in | 13.3501 | APE10-dist-out | 16.924 | APE9-dist-out | 12.4694 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | C | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVD | P32361 | 663 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6806 | 13.9928 | BLAminus | -155.13, -173.01 | 52.6, 74.31 | -88.7, 16.58 | 285.55, 54.27 | -51.01, -47.76 | in-in | in | 8.207 | Saltbr-in | 2.8732 | HRD-out | -65.8, 168.8 | -142.68, -39.31 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8979 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.87, -71.59 | APE9-dihe-na | -48.13, -43.88 | APE8-dihe-out | -62.92, -22.21 | APE8-rot-in | 320.9 | APE67-dihe-in | -66.86, -6.08 | -81.23, 4.34 | APE12-dist-in | 11.8637 | APE11-dist-in | 13.357 | APE10-dist-out | 16.9177 | APE9-dist-out | 12.4456 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | D | 448.0 | 425.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVE | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6693 | 13.996 | BLAminus | -155.73, -172.56 | 52.63, 75.51 | -90.42, 16.46 | 285.18, 54.55 | -50.68, -48.18 | in-in | in | 8.2055 | Saltbr-in | 2.8547 | HRD-out | -66.24, 168.16 | -142.69, -39.82 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8967 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.62, -71.54 | APE9-dihe-na | -47.96, -44.17 | APE8-dihe-out | -62.9, -22.53 | APE8-rot-in | 320.95 | APE67-dihe-in | -67.45, -6.85 | -80.89, 4.84 | APE12-dist-in | 11.8719 | APE11-dist-in | 13.3611 | APE10-dist-out | 16.9208 | APE9-dist-out | 12.4227 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | E | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVF | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7087 | 14.029 | BLAminus | -156.5, -172.41 | 52.56, 74.53 | -89.72, 17.29 | 285.3, 54.51 | -52.05, -47.38 | in-in | in | 8.207 | Saltbr-in | 2.8274 | HRD-out | -65.22, 168.44 | -142.39, -39.81 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9023 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.01, -71.75 | APE9-dihe-na | -47.94, -44.27 | APE8-dihe-out | -62.39, -22.42 | APE8-rot-in | 321.14 | APE67-dihe-in | -68.2, -4.95 | -81.14, 4.25 | APE12-dist-in | 11.8691 | APE11-dist-in | 13.3648 | APE10-dist-out | 16.9216 | APE9-dist-out | 12.4432 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | F | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVG | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6801 | 14.0021 | BLAminus | -155.85, -172.76 | 52.32, 75.2 | -90.36, 16.74 | 285.35, 53.85 | -50.76, -48.27 | in-in | in | 8.2089 | Saltbr-in | 2.8606 | HRD-out | -65.41, 167.47 | -142.49, -40.17 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9002 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.98, -71.4 | APE9-dihe-na | -48.52, -43.35 | APE8-dihe-out | -62.87, -22.64 | APE8-rot-in | 320.97 | APE67-dihe-in | -68.88, -5.32 | -81.1, 5.04 | APE12-dist-in | 11.8633 | APE11-dist-in | 13.3548 | APE10-dist-out | 16.915 | APE9-dist-out | 12.4239 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | G | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVH | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6894 | 14.017 | BLAminus | -155.63, -172.16 | 52.36, 75.16 | -90.66, 17.09 | 285.24, 53.64 | -51.1, -47.55 | in-in | in | 8.2029 | Saltbr-in | 2.845 | HRD-out | -65.19, 167.39 | -142.19, -40.16 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9259 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.93, -71.32 | APE9-dihe-na | -48.49, -43.44 | APE8-dihe-out | -63.24, -22.34 | APE8-rot-in | 320.8 | APE67-dihe-in | -68.45, -5.21 | -81.25, 5.03 | APE12-dist-in | 11.8605 | APE11-dist-in | 13.3537 | APE10-dist-out | 16.9122 | APE9-dist-out | 12.416 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | H | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVI | P32361 | 672 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7137 | 14.0168 | BLAminus | -156.02, -172.35 | 52.06, 75.31 | -90.02, 16.62 | 285.55, 53.98 | -51.0, -47.91 | in-in | in | 8.21 | Saltbr-in | 2.8491 | HRD-out | -65.09, 167.81 | -142.72, -40.77 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9029 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.32, -71.61 | APE9-dihe-na | -48.37, -43.48 | APE8-dihe-out | -62.95, -22.66 | APE8-rot-in | 321.08 | APE67-dihe-in | -68.73, -5.3 | -80.88, 4.84 | APE12-dist-in | 11.843 | APE11-dist-in | 13.3499 | APE10-dist-out | 16.9126 | APE9-dist-out | 12.4344 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | I | 448.0 | 416.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVJ | P32361 | 672 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.69 | 14.0122 | BLAminus | -155.85, -172.44 | 52.57, 75.34 | -90.52, 16.37 | 285.27, 53.91 | -50.64, -47.8 | in-in | in | 8.2015 | Saltbr-in | 2.8516 | HRD-out | -65.21, 168.05 | -142.86, -40.55 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.913 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.02, -71.29 | APE9-dihe-na | -48.68, -43.34 | APE8-dihe-out | -63.13, -22.6 | APE8-rot-in | 320.84 | APE67-dihe-in | -68.73, -5.07 | -80.86, 4.78 | APE12-dist-in | 11.8584 | APE11-dist-in | 13.3534 | APE10-dist-out | 16.9174 | APE9-dist-out | 12.4274 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | J | 448.0 | 416.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVK | P32361 | 663 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6913 | 14.0074 | BLAminus | -156.26, -172.13 | 51.99, 75.85 | -90.75, 16.87 | 285.07, 54.48 | -51.1, -47.86 | in-in | in | 8.2125 | Saltbr-in | 2.8267 | HRD-out | -65.48, 167.26 | -142.09, -40.2 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9082 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.03, -71.43 | APE9-dihe-na | -48.67, -43.3 | APE8-dihe-out | -62.84, -22.69 | APE8-rot-in | 320.9 | APE67-dihe-in | -68.45, -5.64 | -81.1, 4.88 | APE12-dist-in | 11.857 | APE11-dist-in | 13.3527 | APE10-dist-out | 16.9108 | APE9-dist-out | 12.4345 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | K | 448.0 | 425.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVL | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7033 | 14.0123 | BLAminus | -155.79, -172.44 | 52.01, 75.2 | -90.74, 17.2 | 285.43, 54.09 | -51.45, -47.79 | in-in | in | 8.2115 | Saltbr-in | 2.8493 | HRD-out | -65.26, 167.87 | -142.94, -40.28 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9005 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.81, -71.59 | APE9-dihe-na | -48.24, -43.79 | APE8-dihe-out | -62.8, -22.54 | APE8-rot-in | 320.86 | APE67-dihe-in | -68.12, -5.45 | -81.06, 4.67 | APE12-dist-in | 11.8618 | APE11-dist-in | 13.3578 | APE10-dist-out | 16.9256 | APE9-dist-out | 12.4266 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | L | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVM | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6969 | 14.0124 | BLAminus | -156.04, -172.14 | 51.82, 75.37 | -89.83, 16.81 | 285.35, 54.26 | -51.35, -47.4 | in-in | in | 8.2099 | Saltbr-in | 2.8442 | HRD-out | -66.69, 167.72 | -142.42, -40.06 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9135 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.59, -71.54 | APE9-dihe-na | -48.4, -43.24 | APE8-dihe-out | -63.11, -22.55 | APE8-rot-in | 321.07 | APE67-dihe-in | -67.8, -5.48 | -81.21, 4.6 | APE12-dist-in | 11.866 | APE11-dist-in | 13.3548 | APE10-dist-out | 16.9192 | APE9-dist-out | 12.4256 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | M | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVN | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6942 | 14.0267 | BLAminus | -156.62, -171.86 | 51.92, 75.49 | -90.2, 17.25 | 284.59, 54.76 | -51.95, -47.33 | in-in | in | 8.2044 | Saltbr-in | 2.8129 | HRD-out | -65.53, 169.2 | -143.21, -40.58 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9135 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.63, -71.51 | APE9-dihe-na | -48.37, -43.89 | APE8-dihe-out | -62.53, -22.39 | APE8-rot-in | 321.21 | APE67-dihe-in | -66.15, -6.02 | -81.75, 3.84 | APE12-dist-in | 11.8589 | APE11-dist-in | 13.359 | APE10-dist-out | 16.9158 | APE9-dist-out | 12.438 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | N | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJA | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5757 | 14.6902 | BLAminus | -148.71, -168.46 | 54.17, 67.67 | -78.94, 6.4 | 276.48, 44.99 | -41.8, -54.71 | in-in | in | 8.6392 | Saltbr-in | 2.8107 | HRD-out | -63.68, 156.21 | -136.62, -35.13 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1368 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.15, -68.53 | APE9-dihe-na | -53.15, -43.1 | APE8-dihe-out | -56.81, -22.13 | APE8-rot-in | 313.68 | APE67-dihe-in | -64.06, -14.16 | -80.53, 2.66 | APE12-dist-in | 11.7771 | APE11-dist-in | 13.05 | APE10-dist-out | 16.8658 | APE9-dist-out | 12.3492 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | A | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJB | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.622 | 14.6988 | BLAminus | -145.97, -168.7 | 54.87, 65.94 | -77.36, 6.26 | 277.2, 45.55 | -41.04, -56.95 | in-in | in | 8.617 | Saltbr-in | 2.7559 | HRD-out | -64.81, 156.69 | -137.72, -34.35 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1508 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.31, -68.26 | APE9-dihe-na | -53.94, -42.41 | APE8-dihe-out | -57.37, -21.3 | APE8-rot-in | 314.03 | APE67-dihe-in | -64.97, -13.26 | -80.89, 2.66 | APE12-dist-in | 11.7577 | APE11-dist-in | 13.0389 | APE10-dist-out | 16.852 | APE9-dist-out | 12.3226 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | B | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJC | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.601 | 14.6674 | BLAminus | -148.09, -168.39 | 54.61, 67.07 | -78.67, 4.63 | 277.17, 45.68 | -39.89, -56.61 | in-in | in | 8.6582 | Saltbr-in | 2.7671 | HRD-out | -66.32, 158.42 | -137.55, -34.7 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1766 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.05, -68.32 | APE9-dihe-na | -53.45, -42.63 | APE8-dihe-out | -57.75, -21.11 | APE8-rot-in | 313.65 | APE67-dihe-in | -64.89, -12.55 | -80.49, 1.84 | APE12-dist-in | 11.7635 | APE11-dist-in | 13.0373 | APE10-dist-out | 16.8664 | APE9-dist-out | 12.346 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | C | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJD | P32361 | 663 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5665 | 14.6752 | BLAminus | -147.8, -169.08 | 55.27, 66.77 | -78.15, 5.02 | 276.86, 45.51 | -40.71, -55.79 | in-in | in | 8.6453 | Saltbr-in | 2.8012 | HRD-out | -65.92, 158.2 | -137.14, -33.69 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1382 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.38, -68.21 | APE9-dihe-na | -53.57, -42.55 | APE8-dihe-out | -57.56, -21.08 | APE8-rot-in | 313.32 | APE67-dihe-in | -63.33, -13.71 | -81.51, 2.27 | APE12-dist-in | 11.7732 | APE11-dist-in | 13.0494 | APE10-dist-out | 16.8641 | APE9-dist-out | 12.3795 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | D | 448.0 | 425.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJE | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5851 | 14.6425 | BLAminus | -147.96, -168.81 | 54.2, 67.49 | -78.57, 5.35 | 277.08, 45.62 | -38.76, -57.11 | in-in | in | 8.6371 | Saltbr-in | 2.7694 | HRD-out | -65.11, 156.88 | -136.96, -33.74 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1119 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.58, -68.38 | APE9-dihe-na | -53.33, -42.75 | APE8-dihe-out | -57.13, -21.54 | APE8-rot-in | 313.33 | APE67-dihe-in | -64.35, -12.66 | -81.14, 2.48 | APE12-dist-in | 11.7723 | APE11-dist-in | 13.0519 | APE10-dist-out | 16.8637 | APE9-dist-out | 12.3487 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | E | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJF | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.634 | 14.6794 | BLAminus | -147.21, -170.07 | 56.23, 67.33 | -78.59, 5.02 | 276.52, 45.62 | -39.56, -57.56 | in-in | in | 8.6373 | Saltbr-in | 2.753 | HRD-out | -65.32, 157.31 | -138.05, -34.96 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1359 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.05, -68.71 | APE9-dihe-na | -53.15, -42.8 | APE8-dihe-out | -57.57, -21.28 | APE8-rot-in | 313.4 | APE67-dihe-in | -65.82, -12.51 | -81.14, 2.67 | APE12-dist-in | 11.7763 | APE11-dist-in | 13.0499 | APE10-dist-out | 16.8597 | APE9-dist-out | 12.3494 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | F | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJG | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5662 | 14.6849 | BLAminus | -147.91, -169.38 | 55.04, 66.11 | -77.54, 5.23 | 276.22, 46.02 | -40.07, -57.31 | in-in | in | 8.6434 | Saltbr-in | 2.748 | HRD-out | -64.93, 156.04 | -136.08, -33.91 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1311 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.24, -68.26 | APE9-dihe-na | -53.63, -42.38 | APE8-dihe-out | -57.53, -21.78 | APE8-rot-in | 313.73 | APE67-dihe-in | -65.84, -12.85 | -80.33, 3.17 | APE12-dist-in | 11.7575 | APE11-dist-in | 13.0364 | APE10-dist-out | 16.8504 | APE9-dist-out | 12.3503 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | G | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJH | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6207 | 14.6885 | BLAminus | -146.79, -168.82 | 55.25, 66.69 | -78.24, 4.98 | 276.06, 46.02 | -40.46, -56.35 | in-in | in | 8.621 | Saltbr-in | 2.7836 | HRD-out | -63.56, 155.88 | -136.32, -32.88 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1603 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -79.81, -68.21 | APE9-dihe-na | -53.12, -42.67 | APE8-dihe-out | -57.93, -21.27 | APE8-rot-in | 313.46 | APE67-dihe-in | -65.36, -13.19 | -81.28, 3.09 | APE12-dist-in | 11.7637 | APE11-dist-in | 13.0445 | APE10-dist-out | 16.8642 | APE9-dist-out | 12.336 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | H | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJI | P32361 | 672 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.597 | 14.6733 | BLAminus | -144.58, -169.7 | 55.03, 66.77 | -78.68, 7.63 | 277.09, 44.45 | -41.23, -57.07 | in-in | in | 8.6437 | Saltbr-in | 2.7438 | HRD-out | -64.95, 157.55 | -138.96, -35.0 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.157 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.26, -68.42 | APE9-dihe-na | -53.86, -41.72 | APE8-dihe-out | -58.23, -21.49 | APE8-rot-in | 313.77 | APE67-dihe-in | -65.66, -13.81 | -80.4, 2.87 | APE12-dist-in | 11.7444 | APE11-dist-in | 13.0454 | APE10-dist-out | 16.8575 | APE9-dist-out | 12.3497 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | I | 448.0 | 416.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJJ | P32361 | 672 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5896 | 14.6335 | BLAminus | -147.79, -169.52 | 54.31, 67.44 | -79.0, 5.2 | 277.14, 44.53 | -38.95, -56.95 | in-in | in | 8.6499 | Saltbr-in | 2.8497 | HRD-out | -64.62, 158.43 | -139.24, -34.9 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1278 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -79.96, -68.28 | APE9-dihe-na | -53.84, -42.07 | APE8-dihe-out | -57.85, -21.67 | APE8-rot-in | 313.62 | APE67-dihe-in | -64.62, -13.74 | -80.34, 2.74 | APE12-dist-in | 11.775 | APE11-dist-in | 13.0481 | APE10-dist-out | 16.8747 | APE9-dist-out | 12.3588 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | J | 448.0 | 416.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJK | P32361 | 663 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5744 | 14.6658 | BLAminus | -147.34, -168.85 | 53.94, 68.17 | -79.5, 5.5 | 275.62, 45.59 | -40.3, -55.51 | in-in | in | 8.6384 | Saltbr-in | 2.7591 | HRD-out | -62.49, 157.82 | -138.19, -35.16 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1898 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.53, -68.04 | APE9-dihe-na | -53.7, -42.51 | APE8-dihe-out | -57.97, -20.89 | APE8-rot-in | 313.46 | APE67-dihe-in | -65.09, -12.68 | -80.87, 2.48 | APE12-dist-in | 11.7588 | APE11-dist-in | 13.0448 | APE10-dist-out | 16.8542 | APE9-dist-out | 12.3692 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | K | 448.0 | 425.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJL | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6027 | 14.6919 | BLAminus | -146.91, -170.98 | 55.17, 67.62 | -78.94, 5.58 | 276.27, 47.05 | -40.69, -57.56 | in-in | in | 8.6134 | Saltbr-in | 2.7739 | HRD-out | -64.87, 156.97 | -138.1, -35.43 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1114 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.31, -68.63 | APE9-dihe-na | -52.88, -42.97 | APE8-dihe-out | -57.52, -21.23 | APE8-rot-in | 313.42 | APE67-dihe-in | -65.26, -12.89 | -80.93, 2.33 | APE12-dist-in | 11.7649 | APE11-dist-in | 13.039 | APE10-dist-out | 16.8573 | APE9-dist-out | 12.3726 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | L | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJM | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6462 | 14.6679 | BLAminus | -146.9, -168.44 | 53.9, 67.89 | -79.35, 4.39 | 276.45, 46.55 | -39.29, -56.45 | in-in | in | 8.6352 | Saltbr-in | 2.7472 | HRD-out | -66.22, 157.3 | -138.26, -33.17 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1299 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -79.74, -68.15 | APE9-dihe-na | -53.74, -42.77 | APE8-dihe-out | -57.66, -21.0 | APE8-rot-in | 313.3 | APE67-dihe-in | -64.76, -12.86 | -81.09, 2.72 | APE12-dist-in | 11.7672 | APE11-dist-in | 13.036 | APE10-dist-out | 16.8637 | APE9-dist-out | 12.3342 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | M | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJN | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.605 | 14.7015 | BLAminus | -148.53, -170.95 | 56.63, 67.6 | -79.17, 5.37 | 275.48, 45.81 | -40.74, -55.45 | in-in | in | 8.6301 | Saltbr-in | 2.84 | HRD-out | -66.17, 156.27 | -136.96, -35.68 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1397 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.8, -68.16 | APE9-dihe-na | -53.36, -42.69 | APE8-dihe-out | -57.82, -20.86 | APE8-rot-in | 313.36 | APE67-dihe-in | -64.72, -13.44 | -81.59, 3.36 | APE12-dist-in | 11.7718 | APE11-dist-in | 13.0415 | APE10-dist-out | 16.8501 | APE9-dist-out | 12.3537 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | N | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 2RIOA | P32361 | 665 | 1115 | 1115.0 | ADP:61101 | ATPlike | None | DFGin | 5.0319 | 14.6663 | BLAminus | -125.01, -166.82 | 59.91, 72.41 | -79.74, 13.1 | 278.94, 57.84 | -50.86, -29.29 | out-in | out | 10.3602 | Saltbr-in | 3.5441 | HRD-in | -69.38, -55.95 | 80.27, 5.91 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.6844 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 148.77 | APE8-rot-in | 240.38 | APE67-dihe-in | -59.81, -10.2 | -102.36, 14.84 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.4 | 0.224 | 0.266 | A | 434.0 | 396.0 | 26 | 32 | 18 | 14 | [[672, 977]] | 1.0 | 2rio | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3LJ0A | P32361 | 665 | 1115 | 1115.0 | ADP:2101,QUE:1 | ATPlike,Allosteric | None | DFGin | 5.6568 | 14.5198 | BLAminus | -127.75, -159.8 | 55.73, 76.2 | -100.97, 26.65 | 278.19, 55.54 | -68.42, -38.12 | in-in | in | 9.3145 | Saltbr-in | 3.0432 | HRD-in | -75.54, -40.03 | 69.65, -11.03 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8835 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -61.99 | APE8-rot-none | 999.0 | APE67-dihe-in | -81.59, -8.09 | -104.48, 18.72 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.217 | 0.224 | A | 434.0 | 407.0 | 20 | 32 | 25 | 7 | [[672, 977]] | 1.0 | 3lj0 | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3LJ0B | P32361 | 670 | 1115 | 1115.0 | ADP:2101,QUE:1 | ATPlike,Allosteric | None | DFGin | 5.6395 | 14.5291 | BLAminus | -127.76, -160.17 | 56.44, 75.29 | -99.49, 26.48 | 278.86, 54.86 | -67.91, -37.63 | in-in | in | 9.3315 | Saltbr-in | 3.0881 | HRD-in | -76.48, -40.82 | 70.18, -10.34 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8642 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -62.45 | APE8-rot-in | 292.53 | APE67-dihe-in | -81.7, -8.3 | -104.03, 18.85 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.217 | 0.224 | B | 434.0 | 402.0 | 20 | 32 | 25 | 7 | [[672, 977]] | 1.0 | 3lj0 | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3LJ1A | P32361 | 665 | 1115 | 1115.0 | DKI:1 | Type1 | None | DFGin | 5.5491 | 14.1977 | BLAminus | -134.05, -172.29 | 64.43, 86.72 | -105.73, 31.33 | 281.55, 58.87 | -71.4, -43.5 | in-in | in | 9.069 | Saltbr-in | 2.7709 | HRD-in | -75.98, -46.34 | 75.54, -5.83 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8578 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -47.95 | APE8-rot-none | 999.0 | APE67-dihe-in | -76.17, -21.3 | -105.55, 30.38 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.33 | 0.264 | 0.284 | A | 434.0 | 407.0 | 20 | 32 | 25 | 7 | [[672, 977]] | 1.0 | 3lj1 | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3LJ1B | P32361 | 665 | 1115 | 1115.0 | DKI:1 | Type1 | None | DFGin | 5.5663 | 14.1942 | BLAminus | -134.95, -174.09 | 65.23, 87.06 | -105.31, 31.78 | 281.4, 59.08 | -71.99, -43.07 | in-in | in | 9.0658 | Saltbr-in | 2.8493 | HRD-in | -76.02, -48.57 | 76.62, -4.7 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8831 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -48.69 | APE8-rot-none | 999.0 | APE67-dihe-in | -76.4, -21.31 | -105.99, 30.68 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.33 | 0.264 | 0.284 | B | 434.0 | 407.0 | 20 | 32 | 25 | 7 | [[672, 977]] | 1.0 | 3lj1 | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| IRE1 | IRE1_YEAST | 3LJ2A | P32361 | 665 | 1115 | 1115.0 | IZA:1 | Type1 | Inactive | DFGin | 5.9463 | 14.1047 | ABAminus | -134.11, -29.21 | -103.96, 101.1 | -105.66, 14.03 | 294.34, 66.42 | -66.28, -46.88 | in-in | in | 9.1819 | Saltbr-in | 3.4434 | HRD-out | -66.97, 141.77 | -110.32, -6.86 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8057 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -31.36 | APE8-rot-none | 999.0 | APE67-dihe-in | -68.73, -29.06 | -119.26, 28.12 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.33 | 0.256 | 0.293 | A | 434.0 | 407.0 | 20 | 32 | 25 | 7 | [[672, 977]] | 1.0 | 3lj2 | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3LJ2B | P32361 | 665 | 1115 | 1115.0 | IZA:1 | Type1 | Inactive | DFGin | 5.9268 | 14.0513 | ABAminus | -135.45, -27.25 | -103.53, 103.68 | -105.95, 11.89 | 293.73, 66.79 | -67.41, -44.42 | in-in | in | 9.1852 | Saltbr-in | 3.3472 | HRD-out | -74.66, 131.68 | -106.03, -3.68 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7942 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -33.63 | APE8-rot-none | 999.0 | APE67-dihe-in | -74.43, -20.72 | -115.58, 29.84 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.33 | 0.256 | 0.293 | B | 434.0 | 407.0 | 20 | 32 | 25 | 7 | [[672, 977]] | 1.0 | 3lj2 | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 2RIOB | P32361 | 665 | 1115 | 1115.0 | ADP:62101 | ATPlike | Inactive | DFGin | 5.1319 | 14.4012 | BLAminus | -133.23, -169.67 | 57.3, 77.4 | -91.55, 18.06 | 279.67, 55.41 | -50.86, -27.7 | in-in | in | 9.9668 | Saltbr-in | 3.5542 | HRD-in | -79.44, -44.63 | 66.11, 11.75 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7644 | ActLoopCT-out | nonTYR | APEdihe_aanoi | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 139.02 | APE8-rot-out | 206.66 | APE67-dihe-in | -67.78, -12.45 | -143.81, 21.75 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.4 | 0.224 | 0.266 | B | 434.0 | 395.0 | 27 | 32 | 18 | 14 | [[672, 977]] | 1.0 | 2rio | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDMA | P32361 | 670 | 1115 | 1115.0 | No_ligand | No_ligand | Inactive | DFGin | 5.6926 | 14.0047 | BLAminus | -155.77, -172.7 | 52.42, 76.08 | -90.21, 17.19 | 285.11, 54.54 | -51.53, -48.42 | in-in | in | 8.2091 | Saltbr-in | 2.8907 | HRD-out | -65.18, 168.64 | -143.39, -39.44 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9093 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.5, -70.89 | APE9-dihe-na | -48.31, -43.76 | APE8-dihe-out | -62.42, -22.67 | APE8-rot-in | 321.24 | APE67-dihe-in | -67.48, -6.28 | -81.24, 4.59 | APE12-dist-in | 11.8592 | APE11-dist-in | 13.3507 | APE10-dist-out | 16.8973 | APE9-dist-out | 12.4404 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 6.6 | 0.287 | 0.317 | A | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdm | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDMB | P32361 | 670 | 1115 | 1115.0 | No_ligand | No_ligand | Inactive | DFGin | 5.6928 | 14.0052 | BLAminus | -155.78, -172.69 | 52.36, 76.17 | -90.23, 17.14 | 285.14, 54.6 | -51.53, -48.35 | in-in | in | 8.2085 | Saltbr-in | 2.8893 | HRD-out | -65.18, 168.61 | -143.39, -39.42 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9102 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.49, -70.9 | APE9-dihe-na | -48.31, -43.76 | APE8-dihe-out | -62.43, -22.62 | APE8-rot-in | 321.23 | APE67-dihe-in | -67.43, -6.3 | -81.2, 4.51 | APE12-dist-in | 11.858 | APE11-dist-in | 13.3501 | APE10-dist-out | 16.897 | APE9-dist-out | 12.4406 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 6.6 | 0.287 | 0.317 | B | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdm | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDMC | P32361 | 670 | 1115 | 1115.0 | No_ligand | No_ligand | Inactive | DFGin | 5.6923 | 14.0044 | BLAminus | -155.81, -172.76 | 52.44, 76.14 | -90.25, 17.18 | 285.11, 54.58 | -51.58, -48.34 | in-in | in | 8.2093 | Saltbr-in | 2.889 | HRD-out | -65.21, 168.67 | -143.42, -39.43 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9087 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.47, -70.92 | APE9-dihe-na | -48.35, -43.74 | APE8-dihe-out | -62.46, -22.62 | APE8-rot-in | 321.21 | APE67-dihe-in | -67.54, -6.26 | -81.24, 4.58 | APE12-dist-in | 11.8582 | APE11-dist-in | 13.3504 | APE10-dist-out | 16.8971 | APE9-dist-out | 12.4408 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 6.6 | 0.287 | 0.317 | C | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdm | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDMD | P32361 | 670 | 1115 | 1115.0 | No_ligand | No_ligand | Inactive | DFGin | 5.6926 | 14.0046 | BLAminus | -155.78, -172.65 | 52.37, 76.12 | -90.17, 17.06 | 285.19, 54.57 | -51.42, -48.44 | in-in | in | 8.2086 | Saltbr-in | 2.8896 | HRD-out | -65.13, 168.63 | -143.41, -39.39 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9093 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.44, -70.88 | APE9-dihe-na | -48.41, -43.68 | APE8-dihe-out | -62.43, -22.66 | APE8-rot-in | 321.23 | APE67-dihe-in | -67.48, -6.26 | -81.19, 4.54 | APE12-dist-in | 11.8588 | APE11-dist-in | 13.3506 | APE10-dist-out | 16.8974 | APE9-dist-out | 12.4404 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 6.6 | 0.287 | 0.317 | D | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdm | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDME | P32361 | 670 | 1115 | 1115.0 | No_ligand | No_ligand | Inactive | DFGin | 5.6931 | 14.0042 | BLAminus | -155.84, -172.75 | 52.44, 76.1 | -90.19, 17.11 | 285.16, 54.58 | -51.46, -48.45 | in-in | in | 8.2089 | Saltbr-in | 2.8893 | HRD-out | -65.21, 168.6 | -143.37, -39.44 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9095 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.48, -70.86 | APE9-dihe-na | -48.37, -43.74 | APE8-dihe-out | -62.39, -22.7 | APE8-rot-in | 321.26 | APE67-dihe-in | -67.58, -6.21 | -81.19, 4.58 | APE12-dist-in | 11.8592 | APE11-dist-in | 13.3504 | APE10-dist-out | 16.8966 | APE9-dist-out | 12.4409 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 6.6 | 0.287 | 0.317 | E | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdm | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDMF | P32361 | 670 | 1115 | 1115.0 | No_ligand | No_ligand | Inactive | DFGin | 5.6921 | 14.0051 | BLAminus | -155.79, -172.7 | 52.37, 76.14 | -90.22, 17.12 | 285.18, 54.56 | -51.5, -48.44 | in-in | in | 8.2091 | Saltbr-in | 2.8902 | HRD-out | -65.22, 168.69 | -143.45, -39.38 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9092 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.56, -70.89 | APE9-dihe-na | -48.41, -43.72 | APE8-dihe-out | -62.35, -22.68 | APE8-rot-in | 321.25 | APE67-dihe-in | -67.54, -6.21 | -81.27, 4.61 | APE12-dist-in | 11.8581 | APE11-dist-in | 13.3506 | APE10-dist-out | 16.8966 | APE9-dist-out | 12.4413 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 6.6 | 0.287 | 0.317 | F | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdm | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDMG | P32361 | 670 | 1115 | 1115.0 | No_ligand | No_ligand | Inactive | DFGin | 5.6927 | 14.0054 | BLAminus | -155.85, -172.78 | 52.47, 76.08 | -90.24, 17.17 | 285.13, 54.6 | -51.47, -48.43 | in-in | in | 8.2086 | Saltbr-in | 2.89 | HRD-out | -65.21, 168.73 | -143.48, -39.39 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9093 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.5, -70.88 | APE9-dihe-na | -48.4, -43.7 | APE8-dihe-out | -62.42, -22.66 | APE8-rot-in | 321.24 | APE67-dihe-in | -67.44, -6.3 | -81.19, 4.5 | APE12-dist-in | 11.8591 | APE11-dist-in | 13.3505 | APE10-dist-out | 16.8979 | APE9-dist-out | 12.4408 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 6.6 | 0.287 | 0.317 | G | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdm | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVA | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7045 | 14.0181 | BLAminus | -155.94, -171.83 | 51.84, 75.56 | -90.71, 16.67 | 284.93, 54.03 | -51.12, -47.5 | in-in | in | 8.2265 | Saltbr-in | 2.882 | HRD-out | -65.37, 168.2 | -142.48, -40.22 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9201 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.64, -71.57 | APE9-dihe-na | -48.48, -43.22 | APE8-dihe-out | -62.92, -22.72 | APE8-rot-in | 321.13 | APE67-dihe-in | -67.45, -5.69 | -81.19, 4.2 | APE12-dist-in | 11.8641 | APE11-dist-in | 13.3547 | APE10-dist-out | 16.9216 | APE9-dist-out | 12.4144 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | A | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVB | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6927 | 14.0049 | BLAminus | -155.81, -172.72 | 52.4, 76.14 | -90.25, 17.16 | 285.13, 54.57 | -51.5, -48.41 | in-in | in | 8.2089 | Saltbr-in | 2.8896 | HRD-out | -65.21, 168.65 | -143.41, -39.41 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9094 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.49, -70.89 | APE9-dihe-na | -48.37, -43.74 | APE8-dihe-out | -62.39, -22.65 | APE8-rot-in | 321.26 | APE67-dihe-in | -67.5, -6.25 | -81.2, 4.55 | APE12-dist-in | 11.8586 | APE11-dist-in | 13.3504 | APE10-dist-out | 16.897 | APE9-dist-out | 12.4411 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | B | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVC | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7014 | 14.0225 | BLAminus | -155.56, -172.1 | 52.0, 74.67 | -89.02, 16.83 | 285.94, 55.3 | -51.44, -48.21 | in-in | in | 8.2125 | Saltbr-in | 2.8597 | HRD-out | -65.9, 169.36 | -142.91, -40.42 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8918 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -67.96, -71.8 | APE9-dihe-na | -48.56, -43.53 | APE8-dihe-out | -62.69, -22.67 | APE8-rot-in | 320.74 | APE67-dihe-in | -66.41, -6.37 | -80.68, 3.45 | APE12-dist-in | 11.8607 | APE11-dist-in | 13.3501 | APE10-dist-out | 16.924 | APE9-dist-out | 12.4694 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | C | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVD | P32361 | 663 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6806 | 13.9928 | BLAminus | -155.13, -173.01 | 52.6, 74.31 | -88.7, 16.58 | 285.55, 54.27 | -51.01, -47.76 | in-in | in | 8.207 | Saltbr-in | 2.8732 | HRD-out | -65.8, 168.8 | -142.68, -39.31 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8979 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.87, -71.59 | APE9-dihe-na | -48.13, -43.88 | APE8-dihe-out | -62.92, -22.21 | APE8-rot-in | 320.9 | APE67-dihe-in | -66.86, -6.08 | -81.23, 4.34 | APE12-dist-in | 11.8637 | APE11-dist-in | 13.357 | APE10-dist-out | 16.9177 | APE9-dist-out | 12.4456 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | D | 448.0 | 425.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVE | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6693 | 13.996 | BLAminus | -155.73, -172.56 | 52.63, 75.51 | -90.42, 16.46 | 285.18, 54.55 | -50.68, -48.18 | in-in | in | 8.2055 | Saltbr-in | 2.8547 | HRD-out | -66.24, 168.16 | -142.69, -39.82 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8967 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.62, -71.54 | APE9-dihe-na | -47.96, -44.17 | APE8-dihe-out | -62.9, -22.53 | APE8-rot-in | 320.95 | APE67-dihe-in | -67.45, -6.85 | -80.89, 4.84 | APE12-dist-in | 11.8719 | APE11-dist-in | 13.3611 | APE10-dist-out | 16.9208 | APE9-dist-out | 12.4227 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | E | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVF | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7087 | 14.029 | BLAminus | -156.5, -172.41 | 52.56, 74.53 | -89.72, 17.29 | 285.3, 54.51 | -52.05, -47.38 | in-in | in | 8.207 | Saltbr-in | 2.8274 | HRD-out | -65.22, 168.44 | -142.39, -39.81 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9023 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.01, -71.75 | APE9-dihe-na | -47.94, -44.27 | APE8-dihe-out | -62.39, -22.42 | APE8-rot-in | 321.14 | APE67-dihe-in | -68.2, -4.95 | -81.14, 4.25 | APE12-dist-in | 11.8691 | APE11-dist-in | 13.3648 | APE10-dist-out | 16.9216 | APE9-dist-out | 12.4432 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | F | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVG | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6801 | 14.0021 | BLAminus | -155.85, -172.76 | 52.32, 75.2 | -90.36, 16.74 | 285.35, 53.85 | -50.76, -48.27 | in-in | in | 8.2089 | Saltbr-in | 2.8606 | HRD-out | -65.41, 167.47 | -142.49, -40.17 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9002 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.98, -71.4 | APE9-dihe-na | -48.52, -43.35 | APE8-dihe-out | -62.87, -22.64 | APE8-rot-in | 320.97 | APE67-dihe-in | -68.88, -5.32 | -81.1, 5.04 | APE12-dist-in | 11.8633 | APE11-dist-in | 13.3548 | APE10-dist-out | 16.915 | APE9-dist-out | 12.4239 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | G | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVH | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6894 | 14.017 | BLAminus | -155.63, -172.16 | 52.36, 75.16 | -90.66, 17.09 | 285.24, 53.64 | -51.1, -47.55 | in-in | in | 8.2029 | Saltbr-in | 2.845 | HRD-out | -65.19, 167.39 | -142.19, -40.16 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9259 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.93, -71.32 | APE9-dihe-na | -48.49, -43.44 | APE8-dihe-out | -63.24, -22.34 | APE8-rot-in | 320.8 | APE67-dihe-in | -68.45, -5.21 | -81.25, 5.03 | APE12-dist-in | 11.8605 | APE11-dist-in | 13.3537 | APE10-dist-out | 16.9122 | APE9-dist-out | 12.416 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | H | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVI | P32361 | 672 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7137 | 14.0168 | BLAminus | -156.02, -172.35 | 52.06, 75.31 | -90.02, 16.62 | 285.55, 53.98 | -51.0, -47.91 | in-in | in | 8.21 | Saltbr-in | 2.8491 | HRD-out | -65.09, 167.81 | -142.72, -40.77 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9029 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.32, -71.61 | APE9-dihe-na | -48.37, -43.48 | APE8-dihe-out | -62.95, -22.66 | APE8-rot-in | 321.08 | APE67-dihe-in | -68.73, -5.3 | -80.88, 4.84 | APE12-dist-in | 11.843 | APE11-dist-in | 13.3499 | APE10-dist-out | 16.9126 | APE9-dist-out | 12.4344 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | I | 448.0 | 416.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVJ | P32361 | 672 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.69 | 14.0122 | BLAminus | -155.85, -172.44 | 52.57, 75.34 | -90.52, 16.37 | 285.27, 53.91 | -50.64, -47.8 | in-in | in | 8.2015 | Saltbr-in | 2.8516 | HRD-out | -65.21, 168.05 | -142.86, -40.55 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.913 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.02, -71.29 | APE9-dihe-na | -48.68, -43.34 | APE8-dihe-out | -63.13, -22.6 | APE8-rot-in | 320.84 | APE67-dihe-in | -68.73, -5.07 | -80.86, 4.78 | APE12-dist-in | 11.8584 | APE11-dist-in | 13.3534 | APE10-dist-out | 16.9174 | APE9-dist-out | 12.4274 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | J | 448.0 | 416.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVK | P32361 | 663 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6913 | 14.0074 | BLAminus | -156.26, -172.13 | 51.99, 75.85 | -90.75, 16.87 | 285.07, 54.48 | -51.1, -47.86 | in-in | in | 8.2125 | Saltbr-in | 2.8267 | HRD-out | -65.48, 167.26 | -142.09, -40.2 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9082 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.03, -71.43 | APE9-dihe-na | -48.67, -43.3 | APE8-dihe-out | -62.84, -22.69 | APE8-rot-in | 320.9 | APE67-dihe-in | -68.45, -5.64 | -81.1, 4.88 | APE12-dist-in | 11.857 | APE11-dist-in | 13.3527 | APE10-dist-out | 16.9108 | APE9-dist-out | 12.4345 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | K | 448.0 | 425.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVL | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7033 | 14.0123 | BLAminus | -155.79, -172.44 | 52.01, 75.2 | -90.74, 17.2 | 285.43, 54.09 | -51.45, -47.79 | in-in | in | 8.2115 | Saltbr-in | 2.8493 | HRD-out | -65.26, 167.87 | -142.94, -40.28 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9005 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.81, -71.59 | APE9-dihe-na | -48.24, -43.79 | APE8-dihe-out | -62.8, -22.54 | APE8-rot-in | 320.86 | APE67-dihe-in | -68.12, -5.45 | -81.06, 4.67 | APE12-dist-in | 11.8618 | APE11-dist-in | 13.3578 | APE10-dist-out | 16.9256 | APE9-dist-out | 12.4266 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | L | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVM | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6969 | 14.0124 | BLAminus | -156.04, -172.14 | 51.82, 75.37 | -89.83, 16.81 | 285.35, 54.26 | -51.35, -47.4 | in-in | in | 8.2099 | Saltbr-in | 2.8442 | HRD-out | -66.69, 167.72 | -142.42, -40.06 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9135 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.59, -71.54 | APE9-dihe-na | -48.4, -43.24 | APE8-dihe-out | -63.11, -22.55 | APE8-rot-in | 321.07 | APE67-dihe-in | -67.8, -5.48 | -81.21, 4.6 | APE12-dist-in | 11.866 | APE11-dist-in | 13.3548 | APE10-dist-out | 16.9192 | APE9-dist-out | 12.4256 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | M | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3FBVN | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6942 | 14.0267 | BLAminus | -156.62, -171.86 | 51.92, 75.49 | -90.2, 17.25 | 284.59, 54.76 | -51.95, -47.33 | in-in | in | 8.2044 | Saltbr-in | 2.8129 | HRD-out | -65.53, 169.2 | -143.21, -40.58 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9135 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.63, -71.51 | APE9-dihe-na | -48.37, -43.89 | APE8-dihe-out | -62.53, -22.39 | APE8-rot-in | 321.21 | APE67-dihe-in | -66.15, -6.02 | -81.75, 3.84 | APE12-dist-in | 11.8589 | APE11-dist-in | 13.359 | APE10-dist-out | 16.9158 | APE9-dist-out | 12.438 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | N | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJA | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5757 | 14.6902 | BLAminus | -148.71, -168.46 | 54.17, 67.67 | -78.94, 6.4 | 276.48, 44.99 | -41.8, -54.71 | in-in | in | 8.6392 | Saltbr-in | 2.8107 | HRD-out | -63.68, 156.21 | -136.62, -35.13 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1368 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.15, -68.53 | APE9-dihe-na | -53.15, -43.1 | APE8-dihe-out | -56.81, -22.13 | APE8-rot-in | 313.68 | APE67-dihe-in | -64.06, -14.16 | -80.53, 2.66 | APE12-dist-in | 11.7771 | APE11-dist-in | 13.05 | APE10-dist-out | 16.8658 | APE9-dist-out | 12.3492 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | A | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJB | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.622 | 14.6988 | BLAminus | -145.97, -168.7 | 54.87, 65.94 | -77.36, 6.26 | 277.2, 45.55 | -41.04, -56.95 | in-in | in | 8.617 | Saltbr-in | 2.7559 | HRD-out | -64.81, 156.69 | -137.72, -34.35 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1508 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.31, -68.26 | APE9-dihe-na | -53.94, -42.41 | APE8-dihe-out | -57.37, -21.3 | APE8-rot-in | 314.03 | APE67-dihe-in | -64.97, -13.26 | -80.89, 2.66 | APE12-dist-in | 11.7577 | APE11-dist-in | 13.0389 | APE10-dist-out | 16.852 | APE9-dist-out | 12.3226 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | B | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJC | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.601 | 14.6674 | BLAminus | -148.09, -168.39 | 54.61, 67.07 | -78.67, 4.63 | 277.17, 45.68 | -39.89, -56.61 | in-in | in | 8.6582 | Saltbr-in | 2.7671 | HRD-out | -66.32, 158.42 | -137.55, -34.7 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1766 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.05, -68.32 | APE9-dihe-na | -53.45, -42.63 | APE8-dihe-out | -57.75, -21.11 | APE8-rot-in | 313.65 | APE67-dihe-in | -64.89, -12.55 | -80.49, 1.84 | APE12-dist-in | 11.7635 | APE11-dist-in | 13.0373 | APE10-dist-out | 16.8664 | APE9-dist-out | 12.346 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | C | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJD | P32361 | 663 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5665 | 14.6752 | BLAminus | -147.8, -169.08 | 55.27, 66.77 | -78.15, 5.02 | 276.86, 45.51 | -40.71, -55.79 | in-in | in | 8.6453 | Saltbr-in | 2.8012 | HRD-out | -65.92, 158.2 | -137.14, -33.69 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1382 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.38, -68.21 | APE9-dihe-na | -53.57, -42.55 | APE8-dihe-out | -57.56, -21.08 | APE8-rot-in | 313.32 | APE67-dihe-in | -63.33, -13.71 | -81.51, 2.27 | APE12-dist-in | 11.7732 | APE11-dist-in | 13.0494 | APE10-dist-out | 16.8641 | APE9-dist-out | 12.3795 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | D | 448.0 | 425.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJE | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5851 | 14.6425 | BLAminus | -147.96, -168.81 | 54.2, 67.49 | -78.57, 5.35 | 277.08, 45.62 | -38.76, -57.11 | in-in | in | 8.6371 | Saltbr-in | 2.7694 | HRD-out | -65.11, 156.88 | -136.96, -33.74 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1119 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.58, -68.38 | APE9-dihe-na | -53.33, -42.75 | APE8-dihe-out | -57.13, -21.54 | APE8-rot-in | 313.33 | APE67-dihe-in | -64.35, -12.66 | -81.14, 2.48 | APE12-dist-in | 11.7723 | APE11-dist-in | 13.0519 | APE10-dist-out | 16.8637 | APE9-dist-out | 12.3487 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | E | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJF | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.634 | 14.6794 | BLAminus | -147.21, -170.07 | 56.23, 67.33 | -78.59, 5.02 | 276.52, 45.62 | -39.56, -57.56 | in-in | in | 8.6373 | Saltbr-in | 2.753 | HRD-out | -65.32, 157.31 | -138.05, -34.96 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1359 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.05, -68.71 | APE9-dihe-na | -53.15, -42.8 | APE8-dihe-out | -57.57, -21.28 | APE8-rot-in | 313.4 | APE67-dihe-in | -65.82, -12.51 | -81.14, 2.67 | APE12-dist-in | 11.7763 | APE11-dist-in | 13.0499 | APE10-dist-out | 16.8597 | APE9-dist-out | 12.3494 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | F | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJG | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5662 | 14.6849 | BLAminus | -147.91, -169.38 | 55.04, 66.11 | -77.54, 5.23 | 276.22, 46.02 | -40.07, -57.31 | in-in | in | 8.6434 | Saltbr-in | 2.748 | HRD-out | -64.93, 156.04 | -136.08, -33.91 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1311 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.24, -68.26 | APE9-dihe-na | -53.63, -42.38 | APE8-dihe-out | -57.53, -21.78 | APE8-rot-in | 313.73 | APE67-dihe-in | -65.84, -12.85 | -80.33, 3.17 | APE12-dist-in | 11.7575 | APE11-dist-in | 13.0364 | APE10-dist-out | 16.8504 | APE9-dist-out | 12.3503 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | G | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJH | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6207 | 14.6885 | BLAminus | -146.79, -168.82 | 55.25, 66.69 | -78.24, 4.98 | 276.06, 46.02 | -40.46, -56.35 | in-in | in | 8.621 | Saltbr-in | 2.7836 | HRD-out | -63.56, 155.88 | -136.32, -32.88 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1603 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -79.81, -68.21 | APE9-dihe-na | -53.12, -42.67 | APE8-dihe-out | -57.93, -21.27 | APE8-rot-in | 313.46 | APE67-dihe-in | -65.36, -13.19 | -81.28, 3.09 | APE12-dist-in | 11.7637 | APE11-dist-in | 13.0445 | APE10-dist-out | 16.8642 | APE9-dist-out | 12.336 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | H | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJI | P32361 | 672 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.597 | 14.6733 | BLAminus | -144.58, -169.7 | 55.03, 66.77 | -78.68, 7.63 | 277.09, 44.45 | -41.23, -57.07 | in-in | in | 8.6437 | Saltbr-in | 2.7438 | HRD-out | -64.95, 157.55 | -138.96, -35.0 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.157 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.26, -68.42 | APE9-dihe-na | -53.86, -41.72 | APE8-dihe-out | -58.23, -21.49 | APE8-rot-in | 313.77 | APE67-dihe-in | -65.66, -13.81 | -80.4, 2.87 | APE12-dist-in | 11.7444 | APE11-dist-in | 13.0454 | APE10-dist-out | 16.8575 | APE9-dist-out | 12.3497 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | I | 448.0 | 416.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJJ | P32361 | 672 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5896 | 14.6335 | BLAminus | -147.79, -169.52 | 54.31, 67.44 | -79.0, 5.2 | 277.14, 44.53 | -38.95, -56.95 | in-in | in | 8.6499 | Saltbr-in | 2.8497 | HRD-out | -64.62, 158.43 | -139.24, -34.9 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1278 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -79.96, -68.28 | APE9-dihe-na | -53.84, -42.07 | APE8-dihe-out | -57.85, -21.67 | APE8-rot-in | 313.62 | APE67-dihe-in | -64.62, -13.74 | -80.34, 2.74 | APE12-dist-in | 11.775 | APE11-dist-in | 13.0481 | APE10-dist-out | 16.8747 | APE9-dist-out | 12.3588 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | J | 448.0 | 416.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJK | P32361 | 663 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5744 | 14.6658 | BLAminus | -147.34, -168.85 | 53.94, 68.17 | -79.5, 5.5 | 275.62, 45.59 | -40.3, -55.51 | in-in | in | 8.6384 | Saltbr-in | 2.7591 | HRD-out | -62.49, 157.82 | -138.19, -35.16 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1898 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.53, -68.04 | APE9-dihe-na | -53.7, -42.51 | APE8-dihe-out | -57.97, -20.89 | APE8-rot-in | 313.46 | APE67-dihe-in | -65.09, -12.68 | -80.87, 2.48 | APE12-dist-in | 11.7588 | APE11-dist-in | 13.0448 | APE10-dist-out | 16.8542 | APE9-dist-out | 12.3692 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | K | 448.0 | 425.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJL | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6027 | 14.6919 | BLAminus | -146.91, -170.98 | 55.17, 67.62 | -78.94, 5.58 | 276.27, 47.05 | -40.69, -57.56 | in-in | in | 8.6134 | Saltbr-in | 2.7739 | HRD-out | -64.87, 156.97 | -138.1, -35.43 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1114 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.31, -68.63 | APE9-dihe-na | -52.88, -42.97 | APE8-dihe-out | -57.52, -21.23 | APE8-rot-in | 313.42 | APE67-dihe-in | -65.26, -12.89 | -80.93, 2.33 | APE12-dist-in | 11.7649 | APE11-dist-in | 13.039 | APE10-dist-out | 16.8573 | APE9-dist-out | 12.3726 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | L | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJM | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6462 | 14.6679 | BLAminus | -146.9, -168.44 | 53.9, 67.89 | -79.35, 4.39 | 276.45, 46.55 | -39.29, -56.45 | in-in | in | 8.6352 | Saltbr-in | 2.7472 | HRD-out | -66.22, 157.3 | -138.26, -33.17 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1299 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -79.74, -68.15 | APE9-dihe-na | -53.74, -42.77 | APE8-dihe-out | -57.66, -21.0 | APE8-rot-in | 313.3 | APE67-dihe-in | -64.76, -12.86 | -81.09, 2.72 | APE12-dist-in | 11.7672 | APE11-dist-in | 13.036 | APE10-dist-out | 16.8637 | APE9-dist-out | 12.3342 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | M | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3SDJN | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.605 | 14.7015 | BLAminus | -148.53, -170.95 | 56.63, 67.6 | -79.17, 5.37 | 275.48, 45.81 | -40.74, -55.45 | in-in | in | 8.6301 | Saltbr-in | 2.84 | HRD-out | -66.17, 156.27 | -136.96, -35.68 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1397 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.8, -68.16 | APE9-dihe-na | -53.36, -42.69 | APE8-dihe-out | -57.82, -20.86 | APE8-rot-in | 313.36 | APE67-dihe-in | -64.72, -13.44 | -81.59, 3.36 | APE12-dist-in | 11.7718 | APE11-dist-in | 13.0415 | APE10-dist-out | 16.8501 | APE9-dist-out | 12.3537 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | N | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 2RIOA | P32361 | 665 | 1115 | 1115.0 | ADP:61101 | ATPlike | None | DFGin | 5.0319 | 14.6663 | BLAminus | -125.01, -166.82 | 59.91, 72.41 | -79.74, 13.1 | 278.94, 57.84 | -50.86, -29.29 | out-in | out | 10.3602 | Saltbr-in | 3.5441 | HRD-in | -69.38, -55.95 | 80.27, 5.91 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.6844 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 148.77 | APE8-rot-in | 240.38 | APE67-dihe-in | -59.81, -10.2 | -102.36, 14.84 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.4 | 0.224 | 0.266 | A | 434.0 | 396.0 | 26 | 32 | 18 | 14 | [[672, 977]] | 1.0 | 2rio | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3LJ0A | P32361 | 665 | 1115 | 1115.0 | ADP:2101,QUE:1 | ATPlike,Allosteric | None | DFGin | 5.6568 | 14.5198 | BLAminus | -127.75, -159.8 | 55.73, 76.2 | -100.97, 26.65 | 278.19, 55.54 | -68.42, -38.12 | in-in | in | 9.3145 | Saltbr-in | 3.0432 | HRD-in | -75.54, -40.03 | 69.65, -11.03 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8835 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -61.99 | APE8-rot-none | 999.0 | APE67-dihe-in | -81.59, -8.09 | -104.48, 18.72 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.217 | 0.224 | A | 434.0 | 407.0 | 20 | 32 | 25 | 7 | [[672, 977]] | 1.0 | 3lj0 | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3LJ0B | P32361 | 670 | 1115 | 1115.0 | ADP:2101,QUE:1 | ATPlike,Allosteric | None | DFGin | 5.6395 | 14.5291 | BLAminus | -127.76, -160.17 | 56.44, 75.29 | -99.49, 26.48 | 278.86, 54.86 | -67.91, -37.63 | in-in | in | 9.3315 | Saltbr-in | 3.0881 | HRD-in | -76.48, -40.82 | 70.18, -10.34 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8642 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -62.45 | APE8-rot-in | 292.53 | APE67-dihe-in | -81.7, -8.3 | -104.03, 18.85 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.217 | 0.224 | B | 434.0 | 402.0 | 20 | 32 | 25 | 7 | [[672, 977]] | 1.0 | 3lj0 | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3LJ1A | P32361 | 665 | 1115 | 1115.0 | DKI:1 | Type1 | None | DFGin | 5.5491 | 14.1977 | BLAminus | -134.05, -172.29 | 64.43, 86.72 | -105.73, 31.33 | 281.55, 58.87 | -71.4, -43.5 | in-in | in | 9.069 | Saltbr-in | 2.7709 | HRD-in | -75.98, -46.34 | 75.54, -5.83 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8578 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -47.95 | APE8-rot-none | 999.0 | APE67-dihe-in | -76.17, -21.3 | -105.55, 30.38 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.33 | 0.264 | 0.284 | A | 434.0 | 407.0 | 20 | 32 | 25 | 7 | [[672, 977]] | 1.0 | 3lj1 | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| IRE1 | IRE1_YEAST | 3LJ1B | P32361 | 665 | 1115 | 1115.0 | DKI:1 | Type1 | None | DFGin | 5.5663 | 14.1942 | BLAminus | -134.95, -174.09 | 65.23, 87.06 | -105.31, 31.78 | 281.4, 59.08 | -71.99, -43.07 | in-in | in | 9.0658 | Saltbr-in | 2.8493 | HRD-in | -76.02, -48.57 | 76.62, -4.7 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8831 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -48.69 | APE8-rot-none | 999.0 | APE67-dihe-in | -76.4, -21.31 | -105.99, 30.68 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.33 | 0.264 | 0.284 | B | 434.0 | 407.0 | 20 | 32 | 25 | 7 | [[672, 977]] | 1.0 | 3lj1 | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |