| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OTHER | ERN1 | ERN1_HUMAN | 9GOWA | O75460 | 562 | 964 | 977.0 | A1IOO:1001 | Type1 | Active | DFGin | 5.7525 | 15.8477 | BLAminus | -137.11, -164.14 | 55.29, 61.49 | -82.92, 7.86 | 279.34, 27.53 | -61.24, -35.15 | in-in | in | 9.2808 | Saltbr-in | 3.2173 | HRD-in | -66.48, -56.29 | 77.33, -1.62 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9617 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -75.9, 139.91 | APE9-dihe-na | 137.0, 174.42 | APE8-dihe-in | -105.74, 137.36 | APE8-rot-in | 313.93 | APE67-dihe-inflip | 116.47, -18.45 | -55.17, 118.89 | APE12-dist-in | 10.6547 | APE11-dist-in | 11.2725 | APE10-dist-in | 5.2365 | APE9-dist-in | 3.6305 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 3.0 | 0.234 | 0.281 | A | 434.0 | 403.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 9gow | OTHER_ERN1_HUMAN | CAMK | 3.4e-35 | 127.8 | 5.0 | 256.0 | 252.0 | 710 | 711 | 712 | 714 | 716 | 599 | 612 | 616 | 685 | 687 | 686 | 688.0 | 756 | 741 | 736 | 735 | 734 | 733 | 732 | 731 | 730 | 643 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | ERN1 | ERN1_HUMAN | 9GOWB | O75460 | 562 | 964 | 977.0 | A1IOO:1001 | Type1 | Inactive | DFGin | 5.6591 | 15.5949 | BLAminus | -145.27, -164.83 | 46.92, 70.18 | -87.21, 11.29 | 280.69, 69.55 | -62.43, -36.43 | in-in | in | 9.514 | Saltbr-in | 2.9159 | HRD-in | -81.2, -46.9 | 74.25, -11.86 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9113 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -59.45, 144.76 | APE9-dihe-na | 126.14, -167.15 | APE8-dihe-in | -135.75, 140.85 | APE8-rot-out | 210.8 | APE67-dihe-inflip | 99.64, -22.14 | -57.98, 140.11 | APE12-dist-in | 10.8024 | APE11-dist-in | 11.1995 | APE10-dist-in | 5.274 | APE9-dist-in | 3.5398 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 3.0 | 0.234 | 0.281 | B | 434.0 | 403.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 9gow | OTHER_ERN1_HUMAN | CAMK | 3.4e-35 | 127.8 | 5.0 | 256.0 | 252.0 | 710 | 711 | 712 | 714 | 716 | 599 | 612 | 616 | 685 | 687 | 686 | 688.0 | 756 | 741 | 736 | 735 | 734 | 733 | 732 | 731 | 730 | 643 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | ERN1 | ERN1_HUMAN | 9GOWC | O75460 | 562 | 964 | 977.0 | A1IOO:1001 | Type1 | Active | DFGin | 5.6346 | 15.5587 | BLAminus | -132.52, 179.7 | 73.16, 53.18 | -77.31, 13.24 | 285.48, 55.31 | -73.1, -19.29 | in-in | in | 9.0393 | Saltbr-in | 3.0186 | HRD-in | -82.58, -51.91 | 71.45, 18.84 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.6297 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -81.81, 130.02 | APE9-dihe-na | 148.27, 178.17 | APE8-dihe-in | -119.07, 134.7 | APE8-rot-in | 323.09 | APE67-dihe-inflip | 99.28, -15.5 | -52.59, 133.44 | APE12-dist-in | 10.7733 | APE11-dist-in | 11.2227 | APE10-dist-in | 5.3477 | APE9-dist-in | 3.6646 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 3.0 | 0.234 | 0.281 | C | 434.0 | 403.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 9gow | OTHER_ERN1_HUMAN | CAMK | 3.4e-35 | 127.8 | 5.0 | 256.0 | 252.0 | 710 | 711 | 712 | 714 | 716 | 599 | 612 | 616 | 685 | 687 | 686 | 688.0 | 756 | 741 | 736 | 735 | 734 | 733 | 732 | 731 | 730 | 643 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | ERN1 | ERN1_HUMAN | 9GOWD | O75460 | 562 | 964 | 977.0 | A1IOO:1001 | Type1 | Inactive | DFGin | 5.8771 | 15.9408 | BLAminus | -144.08, -162.9 | 48.88, 78.62 | -99.04, 18.45 | 261.61, 69.28 | -69.53, -42.63 | in-out | in | 9.4744 | Saltbr-out | 3.6973 | HRD-in | -82.34, -51.42 | 71.84, 19.12 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8911 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -60.38, 141.0 | APE9-dihe-na | 147.72, -174.34 | APE8-dihe-in | -119.1, 140.61 | APE8-rot-out | 31.47 | APE67-dihe-inflip | 82.22, -18.82 | -56.96, 151.1 | APE12-dist-in | 10.9652 | APE11-dist-in | 11.5215 | APE10-dist-in | 5.4482 | APE9-dist-in | 3.9357 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 3.0 | 0.234 | 0.281 | D | 434.0 | 303.0 | 2 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 9gow | OTHER_ERN1_HUMAN | CAMK | 3.4e-35 | 127.8 | 5.0 | 256.0 | 252.0 | 710 | 711 | 712 | 714 | 716 | 599 | 612 | 616 | 685 | 687 | 686 | 688.0 | 756 | 741 | 736 | 735 | 734 | 733 | 732 | 731 | 730 | 643 | 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 | ERN1 | ERN1_HUMAN | 9GOWA | O75460 | 562 | 964 | 977.0 | A1IOO:1001 | Type1 | Active | DFGin | 5.7525 | 15.8477 | BLAminus | -137.11, -164.14 | 55.29, 61.49 | -82.92, 7.86 | 279.34, 27.53 | -61.24, -35.15 | in-in | in | 9.2808 | Saltbr-in | 3.2173 | HRD-in | -66.48, -56.29 | 77.33, -1.62 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9617 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -75.9, 139.91 | APE9-dihe-na | 137.0, 174.42 | APE8-dihe-in | -105.74, 137.36 | APE8-rot-in | 313.93 | APE67-dihe-inflip | 116.47, -18.45 | -55.17, 118.89 | APE12-dist-in | 10.6547 | APE11-dist-in | 11.2725 | APE10-dist-in | 5.2365 | APE9-dist-in | 3.6305 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 3.0 | 0.234 | 0.281 | A | 434.0 | 403.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 9gow | Homo sapiens | OTHER_ERN1_HUMAN | CAMK | 3.4e-35 | 127.8 | 5.0 | 256.0 | 252.0 | 710 | 711 | 712 | 714 | 716 | 599 | 612 | 616 | 685 | 687 | 686 | 688.0 | 756 | 741 | 736 | 735 | 734 | 733 | 732 | 731 | 730 | 643 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | ERN1 | ERN1_HUMAN | 9GOWB | O75460 | 562 | 964 | 977.0 | A1IOO:1001 | Type1 | Inactive | DFGin | 5.6591 | 15.5949 | BLAminus | -145.27, -164.83 | 46.92, 70.18 | -87.21, 11.29 | 280.69, 69.55 | -62.43, -36.43 | in-in | in | 9.514 | Saltbr-in | 2.9159 | HRD-in | -81.2, -46.9 | 74.25, -11.86 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9113 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -59.45, 144.76 | APE9-dihe-na | 126.14, -167.15 | APE8-dihe-in | -135.75, 140.85 | APE8-rot-out | 210.8 | APE67-dihe-inflip | 99.64, -22.14 | -57.98, 140.11 | APE12-dist-in | 10.8024 | APE11-dist-in | 11.1995 | APE10-dist-in | 5.274 | APE9-dist-in | 3.5398 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 3.0 | 0.234 | 0.281 | B | 434.0 | 403.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 9gow | Homo sapiens | OTHER_ERN1_HUMAN | CAMK | 3.4e-35 | 127.8 | 5.0 | 256.0 | 252.0 | 710 | 711 | 712 | 714 | 716 | 599 | 612 | 616 | 685 | 687 | 686 | 688.0 | 756 | 741 | 736 | 735 | 734 | 733 | 732 | 731 | 730 | 643 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | ERN1 | ERN1_HUMAN | 9GOWC | O75460 | 562 | 964 | 977.0 | A1IOO:1001 | Type1 | Active | DFGin | 5.6346 | 15.5587 | BLAminus | -132.52, 179.7 | 73.16, 53.18 | -77.31, 13.24 | 285.48, 55.31 | -73.1, -19.29 | in-in | in | 9.0393 | Saltbr-in | 3.0186 | HRD-in | -82.58, -51.91 | 71.45, 18.84 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.6297 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -81.81, 130.02 | APE9-dihe-na | 148.27, 178.17 | APE8-dihe-in | -119.07, 134.7 | APE8-rot-in | 323.09 | APE67-dihe-inflip | 99.28, -15.5 | -52.59, 133.44 | APE12-dist-in | 10.7733 | APE11-dist-in | 11.2227 | APE10-dist-in | 5.3477 | APE9-dist-in | 3.6646 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 3.0 | 0.234 | 0.281 | C | 434.0 | 403.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 9gow | Homo sapiens | OTHER_ERN1_HUMAN | CAMK | 3.4e-35 | 127.8 | 5.0 | 256.0 | 252.0 | 710 | 711 | 712 | 714 | 716 | 599 | 612 | 616 | 685 | 687 | 686 | 688.0 | 756 | 741 | 736 | 735 | 734 | 733 | 732 | 731 | 730 | 643 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | ERN1 | ERN1_HUMAN | 9GOWD | O75460 | 562 | 964 | 977.0 | A1IOO:1001 | Type1 | Inactive | DFGin | 5.8771 | 15.9408 | BLAminus | -144.08, -162.9 | 48.88, 78.62 | -99.04, 18.45 | 261.61, 69.28 | -69.53, -42.63 | in-out | in | 9.4744 | Saltbr-out | 3.6973 | HRD-in | -82.34, -51.42 | 71.84, 19.12 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8911 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -60.38, 141.0 | APE9-dihe-na | 147.72, -174.34 | APE8-dihe-in | -119.1, 140.61 | APE8-rot-out | 31.47 | APE67-dihe-inflip | 82.22, -18.82 | -56.96, 151.1 | APE12-dist-in | 10.9652 | APE11-dist-in | 11.5215 | APE10-dist-in | 5.4482 | APE9-dist-in | 3.9357 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 3.0 | 0.234 | 0.281 | D | 434.0 | 303.0 | 2 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 9gow | Homo sapiens | OTHER_ERN1_HUMAN | CAMK | 3.4e-35 | 127.8 | 5.0 | 256.0 | 252.0 | 710 | 711 | 712 | 714 | 716 | 599 | 612 | 616 | 685 | 687 | 686 | 688.0 | 756 | 741 | 736 | 735 | 734 | 733 | 732 | 731 | 730 | 643 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| 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 | 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 |
|---|