| 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 | 4YZDA | O75460 | 563 | 964 | 977.0 | ADP:1002 | ATPlike | Inactive | DFGin | 7.1061 | 13.4537 | BLBplus | -141.52, 169.79 | 75.76, 4.13 | -62.0, 156.83 | 53.76, 79.18 | 72.65, 35.33 | out-out | out | 15.8851 | Saltbr-out | 13.4097 | HRD-in | -64.16, -47.27 | 74.91, -18.55 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.5839 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioi | APE10-dihe-na | -69.65, 158.55 | APE9-dihe-na | 98.62, 175.79 | APE8-dihe-in | -108.17, 135.68 | APE8-rot-in | 302.59 | APE67-dihe-inflip | 100.94, -24.59 | -56.48, 129.95 | APE12-dist-none | 999.0 | APE11-dist-in | 13.4057 | APE10-dist-out | 8.1612 | APE9-dist-in | 3.4231 | None | None | None | XRAY | 3.102 | 0.234 | 0.273 | A | 405.0 | 383.0 | 18 | 31 | 19 | 12 | [[571, 832]] | 1.0 | 4yzd | OTHER_ERN1_HUMAN | CAMK | 2.8e-35 | 128.1 | 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 | 4YZDB | O75460 | 563 | 963 | 977.0 | ADP:1002 | ATPlike | Inactive | DFGin | 7.2039 | 13.1793 | BLBplus | -141.12, 169.65 | 69.57, 15.58 | -67.08, 155.42 | 48.06, 78.07 | 72.22, 36.23 | out-out | out | 15.8795 | Saltbr-out | 13.1182 | HRD-in | -63.57, -45.81 | 74.7, -19.84 | out-out-none | SNCoon | out-none | ActLoopNT-out | 10.5805 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_niii | APE10-dihe-na | -69.77, 158.99 | APE9-dihe-na | 99.89, 174.78 | APE8-dihe-in | -110.07, 134.42 | APE8-rot-in | 300.85 | APE67-dihe-inflip | 103.95, -24.75 | -57.78, 133.16 | APE12-dist-none | 999.0 | APE11-dist-in | 12.6724 | APE10-dist-in | 7.5681 | APE9-dist-in | 3.5283 | None | None | None | XRAY | 3.102 | 0.234 | 0.273 | B | 405.0 | 385.0 | 15 | 31 | 19 | 12 | [[571, 832]] | 1.0 | 4yzd | OTHER_ERN1_HUMAN | CAMK | 2.8e-35 | 128.1 | 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 | 4YZDC | O75460 | 563 | 964 | 977.0 | ADP:1001 | ATPlike | Inactive | DFGin | 7.2921 | 13.5559 | BLBplus | -142.06, 170.34 | 76.33, 5.28 | -64.41, 157.35 | 50.79, 79.33 | 73.41, 36.41 | out-out | out | 16.1942 | Saltbr-out | 13.2528 | HRD-in | -63.95, -47.78 | 74.02, -20.41 | out-out-none | SNCoon | out-none | ActLoopNT-out | 10.5812 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_niii | APE10-dihe-na | -70.78, 158.57 | APE9-dihe-na | 97.6, 174.43 | APE8-dihe-in | -111.17, 134.53 | APE8-rot-in | 303.43 | APE67-dihe-inflip | 103.93, -24.42 | -56.8, 132.74 | APE12-dist-none | 999.0 | APE11-dist-in | 12.4096 | APE10-dist-in | 7.7835 | APE9-dist-in | 3.412 | None | None | None | XRAY | 3.102 | 0.234 | 0.273 | C | 405.0 | 379.0 | 21 | 31 | 19 | 12 | [[571, 832]] | 1.0 | 4yzd | OTHER_ERN1_HUMAN | CAMK | 2.8e-35 | 128.1 | 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 | 4YZDA | O75460 | 563 | 964 | 977.0 | ADP:1002 | ATPlike | Inactive | DFGin | 7.1061 | 13.4537 | BLBplus | -141.52, 169.79 | 75.76, 4.13 | -62.0, 156.83 | 53.76, 79.18 | 72.65, 35.33 | out-out | out | 15.8851 | Saltbr-out | 13.4097 | HRD-in | -64.16, -47.27 | 74.91, -18.55 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.5839 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioi | APE10-dihe-na | -69.65, 158.55 | APE9-dihe-na | 98.62, 175.79 | APE8-dihe-in | -108.17, 135.68 | APE8-rot-in | 302.59 | APE67-dihe-inflip | 100.94, -24.59 | -56.48, 129.95 | APE12-dist-none | 999.0 | APE11-dist-in | 13.4057 | APE10-dist-out | 8.1612 | APE9-dist-in | 3.4231 | None | None | None | XRAY | 3.102 | 0.234 | 0.273 | A | 405.0 | 383.0 | 18 | 31 | 19 | 12 | [[571, 832]] | 1.0 | 4yzd | Homo sapiens | OTHER_ERN1_HUMAN | CAMK | 2.8e-35 | 128.1 | 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 | 4YZDB | O75460 | 563 | 963 | 977.0 | ADP:1002 | ATPlike | Inactive | DFGin | 7.2039 | 13.1793 | BLBplus | -141.12, 169.65 | 69.57, 15.58 | -67.08, 155.42 | 48.06, 78.07 | 72.22, 36.23 | out-out | out | 15.8795 | Saltbr-out | 13.1182 | HRD-in | -63.57, -45.81 | 74.7, -19.84 | out-out-none | SNCoon | out-none | ActLoopNT-out | 10.5805 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_niii | APE10-dihe-na | -69.77, 158.99 | APE9-dihe-na | 99.89, 174.78 | APE8-dihe-in | -110.07, 134.42 | APE8-rot-in | 300.85 | APE67-dihe-inflip | 103.95, -24.75 | -57.78, 133.16 | APE12-dist-none | 999.0 | APE11-dist-in | 12.6724 | APE10-dist-in | 7.5681 | APE9-dist-in | 3.5283 | None | None | None | XRAY | 3.102 | 0.234 | 0.273 | B | 405.0 | 385.0 | 15 | 31 | 19 | 12 | [[571, 832]] | 1.0 | 4yzd | Homo sapiens | OTHER_ERN1_HUMAN | CAMK | 2.8e-35 | 128.1 | 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 | 4YZDC | O75460 | 563 | 964 | 977.0 | ADP:1001 | ATPlike | Inactive | DFGin | 7.2921 | 13.5559 | BLBplus | -142.06, 170.34 | 76.33, 5.28 | -64.41, 157.35 | 50.79, 79.33 | 73.41, 36.41 | out-out | out | 16.1942 | Saltbr-out | 13.2528 | HRD-in | -63.95, -47.78 | 74.02, -20.41 | out-out-none | SNCoon | out-none | ActLoopNT-out | 10.5812 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_niii | APE10-dihe-na | -70.78, 158.57 | APE9-dihe-na | 97.6, 174.43 | APE8-dihe-in | -111.17, 134.53 | APE8-rot-in | 303.43 | APE67-dihe-inflip | 103.93, -24.42 | -56.8, 132.74 | APE12-dist-none | 999.0 | APE11-dist-in | 12.4096 | APE10-dist-in | 7.7835 | APE9-dist-in | 3.412 | None | None | None | XRAY | 3.102 | 0.234 | 0.273 | C | 405.0 | 379.0 | 21 | 31 | 19 | 12 | [[571, 832]] | 1.0 | 4yzd | Homo sapiens | OTHER_ERN1_HUMAN | CAMK | 2.8e-35 | 128.1 | 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 |
|---|