| 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 | 4YZCA | O75460 | 562 | 963 | 977.0 | STU:1001 | Type1 | None | DFGin | 4.5402 | 13.5982 | BLAminus | -149.66, -173.45 | 57.49, 66.53 | -77.65, -2.16 | 287.89, 65.87 | -48.01, -38.7 | in-none | in | 9.3632 | Saltbr-none | 999.0 | HRD-in | -69.99, -44.37 | 70.23, -12.54 | none-in-in | SNCnii | in-in | ActLoopNT-in | 2.8966 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -68.95, 160.8 | APE9-dihe-na | 106.7, 168.85 | APE8-dihe-in | -105.56, 142.33 | APE8-rot-in | 309.63 | APE67-dihe-inflip | 90.78, -21.58 | -55.3, 131.97 | APE12-dist-in | 10.4006 | APE11-dist-in | 11.3276 | APE10-dist-in | 5.4058 | APE9-dist-in | 3.6014 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 2.494 | 0.249 | 0.289 | A | 405.0 | 385.0 | 17 | 31 | 30 | 1 | [[571, 832]] | 1.0 | 4yzc | 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 | 4YZCB | O75460 | 562 | 963 | 977.0 | STU:1001 | Type1 | None | DFGin | 4.3622 | 13.613 | BLAminus | -140.88, -173.22 | 59.3, 72.64 | -84.99, 5.45 | 286.37, 62.28 | -53.44, -38.69 | in-none | in | 9.6084 | Saltbr-none | 999.0 | HRD-in | -70.83, -44.64 | 74.46, -16.49 | none-in-in | SNCnii | in-in | ActLoopNT-in | 2.9715 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -78.48, 164.52 | APE9-dihe-na | 106.87, 177.31 | APE8-dihe-in | -111.04, 139.81 | APE8-rot-in | 310.36 | APE67-dihe-inflip | 90.66, -20.76 | -52.98, 131.15 | APE12-dist-in | 10.8362 | APE11-dist-in | 11.2328 | APE10-dist-in | 5.3941 | APE9-dist-in | 3.6931 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 2.494 | 0.249 | 0.289 | B | 405.0 | 384.0 | 18 | 31 | 29 | 2 | [[571, 832]] | 1.0 | 4yzc | 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 | 4YZCA | O75460 | 562 | 963 | 977.0 | STU:1001 | Type1 | None | DFGin | 4.5402 | 13.5982 | BLAminus | -149.66, -173.45 | 57.49, 66.53 | -77.65, -2.16 | 287.89, 65.87 | -48.01, -38.7 | in-none | in | 9.3632 | Saltbr-none | 999.0 | HRD-in | -69.99, -44.37 | 70.23, -12.54 | none-in-in | SNCnii | in-in | ActLoopNT-in | 2.8966 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -68.95, 160.8 | APE9-dihe-na | 106.7, 168.85 | APE8-dihe-in | -105.56, 142.33 | APE8-rot-in | 309.63 | APE67-dihe-inflip | 90.78, -21.58 | -55.3, 131.97 | APE12-dist-in | 10.4006 | APE11-dist-in | 11.3276 | APE10-dist-in | 5.4058 | APE9-dist-in | 3.6014 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 2.494 | 0.249 | 0.289 | A | 405.0 | 385.0 | 17 | 31 | 30 | 1 | [[571, 832]] | 1.0 | 4yzc | 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 | 4YZCB | O75460 | 562 | 963 | 977.0 | STU:1001 | Type1 | None | DFGin | 4.3622 | 13.613 | BLAminus | -140.88, -173.22 | 59.3, 72.64 | -84.99, 5.45 | 286.37, 62.28 | -53.44, -38.69 | in-none | in | 9.6084 | Saltbr-none | 999.0 | HRD-in | -70.83, -44.64 | 74.46, -16.49 | none-in-in | SNCnii | in-in | ActLoopNT-in | 2.9715 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -78.48, 164.52 | APE9-dihe-na | 106.87, 177.31 | APE8-dihe-in | -111.04, 139.81 | APE8-rot-in | 310.36 | APE67-dihe-inflip | 90.66, -20.76 | -52.98, 131.15 | APE12-dist-in | 10.8362 | APE11-dist-in | 11.2328 | APE10-dist-in | 5.3941 | APE9-dist-in | 3.6931 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 2.494 | 0.249 | 0.289 | B | 405.0 | 384.0 | 18 | 31 | 29 | 2 | [[571, 832]] | 1.0 | 4yzc | 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 |
|---|