| 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 | 6W3CA | O75460 | 560 | 964 | 977.0 | No_ligand | No_ligand | Active | DFGin | 6.1058 | 14.2357 | BLAminus | -143.3, -169.77 | 61.92, 75.26 | -99.59, 5.17 | 293.74, 80.96 | -57.56, -26.8 | in-in | in | 8.19 | Saltbr-in | 2.4383 | HRD-in | -73.83, -48.09 | 71.71, -9.73 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8021 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -71.3, -33.45 | APE9-dihe-na | -62.43, 169.01 | APE8-dihe-in | -93.38, 133.53 | APE8-rot-in | 300.11 | APE67-dihe-inflip | 106.95, -8.39 | -49.76, 124.1 | APE12-dist-in | 11.2447 | APE11-dist-in | 11.3955 | APE10-dist-in | 5.4301 | APE9-dist-in | 3.4493 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 2.3 | 0.208 | 0.248 | A | 434.0 | 405.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 6w3c | 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 | 6W3CB | O75460 | 560 | 963 | 977.0 | No_ligand | No_ligand | Active | DFGin | 6.1058 | 14.899 | BLAminus | -154.48, -168.03 | 55.85, 78.98 | -100.05, 13.54 | 285.56, 16.26 | -60.83, -29.52 | in-in | in | 8.3655 | Saltbr-in | 2.6337 | HRD-in | -75.16, -45.21 | 69.8, 0.87 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7083 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -79.23, 157.93 | APE9-dihe-na | 117.83, 146.57 | APE8-dihe-in | -81.19, 135.69 | APE8-rot-in | 308.77 | APE67-dihe-inflip | 111.32, -6.95 | -54.24, 124.62 | APE12-dist-in | 10.8874 | APE11-dist-in | 10.8973 | APE10-dist-in | 4.9571 | APE9-dist-in | 3.5412 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 2.3 | 0.208 | 0.248 | B | 434.0 | 404.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 6w3c | 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 | 6W3CC | O75460 | 560 | 963 | 977.0 | No_ligand | No_ligand | Active | DFGin | 5.657 | 15.0187 | BLAminus | -147.84, -172.12 | 60.8, 76.5 | -95.31, 10.61 | 280.4, 53.86 | -59.0, -26.79 | in-in | in | 8.706 | Saltbr-in | 2.7208 | HRD-in | -80.88, -50.26 | 69.52, 4.83 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9577 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -79.43, 153.53 | APE9-dihe-na | 125.25, 174.09 | APE8-dihe-in | -105.72, 131.11 | APE8-rot-in | 300.67 | APE67-dihe-inflip | 110.66, -4.8 | -51.94, 122.81 | APE12-dist-in | 11.2388 | APE11-dist-in | 11.1201 | APE10-dist-in | 5.2179 | APE9-dist-in | 3.6747 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 2.3 | 0.208 | 0.248 | C | 434.0 | 404.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 6w3c | 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 | 6W3CD | O75460 | 560 | 963 | 977.0 | No_ligand | No_ligand | Active | DFGin | 5.9323 | 15.058 | BLAminus | -157.54, -163.82 | 60.31, 71.97 | -98.14, 3.34 | 281.98, 17.28 | -56.04, -29.73 | in-in | in | 8.6424 | Saltbr-in | 2.7148 | HRD-in | -75.91, -46.58 | 71.49, -6.58 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.71 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -80.66, -18.6 | APE9-dihe-na | -64.06, 167.42 | APE8-dihe-in | -92.49, 134.25 | APE8-rot-in | 304.43 | APE67-dihe-inflip | 103.66, -4.02 | -51.74, 125.98 | APE12-dist-in | 11.3016 | APE11-dist-in | 11.2182 | APE10-dist-in | 5.2576 | APE9-dist-in | 3.4824 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 2.3 | 0.208 | 0.248 | D | 434.0 | 404.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 6w3c | 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 | 6W3CA | O75460 | 560 | 964 | 977.0 | No_ligand | No_ligand | Active | DFGin | 6.1058 | 14.2357 | BLAminus | -143.3, -169.77 | 61.92, 75.26 | -99.59, 5.17 | 293.74, 80.96 | -57.56, -26.8 | in-in | in | 8.19 | Saltbr-in | 2.4383 | HRD-in | -73.83, -48.09 | 71.71, -9.73 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8021 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -71.3, -33.45 | APE9-dihe-na | -62.43, 169.01 | APE8-dihe-in | -93.38, 133.53 | APE8-rot-in | 300.11 | APE67-dihe-inflip | 106.95, -8.39 | -49.76, 124.1 | APE12-dist-in | 11.2447 | APE11-dist-in | 11.3955 | APE10-dist-in | 5.4301 | APE9-dist-in | 3.4493 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 2.3 | 0.208 | 0.248 | A | 434.0 | 405.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 6w3c | 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 | 6W3CB | O75460 | 560 | 963 | 977.0 | No_ligand | No_ligand | Active | DFGin | 6.1058 | 14.899 | BLAminus | -154.48, -168.03 | 55.85, 78.98 | -100.05, 13.54 | 285.56, 16.26 | -60.83, -29.52 | in-in | in | 8.3655 | Saltbr-in | 2.6337 | HRD-in | -75.16, -45.21 | 69.8, 0.87 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7083 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -79.23, 157.93 | APE9-dihe-na | 117.83, 146.57 | APE8-dihe-in | -81.19, 135.69 | APE8-rot-in | 308.77 | APE67-dihe-inflip | 111.32, -6.95 | -54.24, 124.62 | APE12-dist-in | 10.8874 | APE11-dist-in | 10.8973 | APE10-dist-in | 4.9571 | APE9-dist-in | 3.5412 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 2.3 | 0.208 | 0.248 | B | 434.0 | 404.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 6w3c | 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 | 6W3CC | O75460 | 560 | 963 | 977.0 | No_ligand | No_ligand | Active | DFGin | 5.657 | 15.0187 | BLAminus | -147.84, -172.12 | 60.8, 76.5 | -95.31, 10.61 | 280.4, 53.86 | -59.0, -26.79 | in-in | in | 8.706 | Saltbr-in | 2.7208 | HRD-in | -80.88, -50.26 | 69.52, 4.83 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9577 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -79.43, 153.53 | APE9-dihe-na | 125.25, 174.09 | APE8-dihe-in | -105.72, 131.11 | APE8-rot-in | 300.67 | APE67-dihe-inflip | 110.66, -4.8 | -51.94, 122.81 | APE12-dist-in | 11.2388 | APE11-dist-in | 11.1201 | APE10-dist-in | 5.2179 | APE9-dist-in | 3.6747 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 2.3 | 0.208 | 0.248 | C | 434.0 | 404.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 6w3c | 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 | 6W3CD | O75460 | 560 | 963 | 977.0 | No_ligand | No_ligand | Active | DFGin | 5.9323 | 15.058 | BLAminus | -157.54, -163.82 | 60.31, 71.97 | -98.14, 3.34 | 281.98, 17.28 | -56.04, -29.73 | in-in | in | 8.6424 | Saltbr-in | 2.7148 | HRD-in | -75.91, -46.58 | 71.49, -6.58 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.71 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -80.66, -18.6 | APE9-dihe-na | -64.06, 167.42 | APE8-dihe-in | -92.49, 134.25 | APE8-rot-in | 304.43 | APE67-dihe-inflip | 103.66, -4.02 | -51.74, 125.98 | APE12-dist-in | 11.3016 | APE11-dist-in | 11.2182 | APE10-dist-in | 5.2576 | APE9-dist-in | 3.4824 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 2.3 | 0.208 | 0.248 | D | 434.0 | 404.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 6w3c | 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 |
|---|