| 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 | 7BMKA | O75460 | 561 | 966 | 977.0 | U4N:1001 | Type1.5_Back | Inactive | DFGin | 5.3046 | 15.6038 | BLAminus | -134.78, 175.72 | 71.56, 88.08 | -95.42, 16.11 | 280.14, 64.53 | -63.54, -33.93 | out-out | out | 10.6201 | Saltbr-out | 5.4292 | HRD-in | -79.03, -50.32 | 75.82, -1.9 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8637 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -71.86, -22.99 | APE9-dihe-na | 146.38, -151.63 | APE8-dihe-in | -103.7, 128.54 | APE8-rot-in | 300.23 | APE67-dihe-inflip | 91.08, -11.6 | -49.87, 131.36 | APE12-dist-in | 7.4825 | APE11-dist-out | 7.0097 | APE10-dist-out | 9.895 | APE9-dist-in | 3.7159 | None | None | None | XRAY | 1.85 | 0.192 | 0.235 | A | 434.0 | 406.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 7bmk | 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 | 7BMKB | O75460 | 562 | 963 | 977.0 | U4N:1001 | Type1.5_Back | Inactive | DFGin | 5.4699 | 15.5574 | BLAminus | -136.75, 176.32 | 69.57, 85.31 | -94.6, 15.21 | 280.65, 62.8 | -61.14, -35.65 | out-out | out | 10.4246 | Saltbr-out | 5.2954 | HRD-in | -76.97, -51.76 | 73.84, 1.59 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8504 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_ioio | APE10-dihe-na | -80.44, 159.09 | APE9-dihe-na | -62.97, -36.0 | APE8-dihe-in | -102.05, 125.52 | APE8-rot-in | 305.35 | APE67-dihe-inflip | 117.81, -24.89 | -71.98, 170.65 | APE12-dist-in | 10.0168 | APE11-dist-out | 6.4169 | APE10-dist-in | 7.0661 | APE9-dist-out | 8.7347 | None | None | None | XRAY | 1.85 | 0.192 | 0.235 | B | 434.0 | 392.0 | 10 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 7bmk | 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 | 7BMKA | O75460 | 561 | 966 | 977.0 | U4N:1001 | Type1.5_Back | Inactive | DFGin | 5.3046 | 15.6038 | BLAminus | -134.78, 175.72 | 71.56, 88.08 | -95.42, 16.11 | 280.14, 64.53 | -63.54, -33.93 | out-out | out | 10.6201 | Saltbr-out | 5.4292 | HRD-in | -79.03, -50.32 | 75.82, -1.9 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8637 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -71.86, -22.99 | APE9-dihe-na | 146.38, -151.63 | APE8-dihe-in | -103.7, 128.54 | APE8-rot-in | 300.23 | APE67-dihe-inflip | 91.08, -11.6 | -49.87, 131.36 | APE12-dist-in | 7.4825 | APE11-dist-out | 7.0097 | APE10-dist-out | 9.895 | APE9-dist-in | 3.7159 | None | None | None | XRAY | 1.85 | 0.192 | 0.235 | A | 434.0 | 406.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 7bmk | 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 | 7BMKB | O75460 | 562 | 963 | 977.0 | U4N:1001 | Type1.5_Back | Inactive | DFGin | 5.4699 | 15.5574 | BLAminus | -136.75, 176.32 | 69.57, 85.31 | -94.6, 15.21 | 280.65, 62.8 | -61.14, -35.65 | out-out | out | 10.4246 | Saltbr-out | 5.2954 | HRD-in | -76.97, -51.76 | 73.84, 1.59 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8504 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_ioio | APE10-dihe-na | -80.44, 159.09 | APE9-dihe-na | -62.97, -36.0 | APE8-dihe-in | -102.05, 125.52 | APE8-rot-in | 305.35 | APE67-dihe-inflip | 117.81, -24.89 | -71.98, 170.65 | APE12-dist-in | 10.0168 | APE11-dist-out | 6.4169 | APE10-dist-in | 7.0661 | APE9-dist-out | 8.7347 | None | None | None | XRAY | 1.85 | 0.192 | 0.235 | B | 434.0 | 392.0 | 10 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 7bmk | 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 |
|---|