| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| Group | 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 | 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 |
|---|
| Group | 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OTHER | 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 |
| OTHER | 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 |
| OTHER | 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 |
| OTHER | 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 |
| OTHER | 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 |
| OTHER | 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 |
| OTHER | 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 |
| Group | 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OTHER | 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 |
| OTHER | 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 |
| OTHER | 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 |
| OTHER | 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 |
| OTHER | 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 |
| OTHER | 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 |
| OTHER | 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 |