| 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 | 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 |
|---|
| 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_MOUSE | 4PL5B | Q9EQY0 | 562 | 963 | 977.0 | ADP:1001 | ATPlike | Inactive | DFGin | 7.4546 | 13.9365 | BLBplus | -129.37, -173.23 | 56.7, 18.18 | -83.15, 166.18 | 46.51, 88.1 | 78.73, -17.65 | out-out | out | 17.3785 | Saltbr-out | 14.0508 | HRD-in | -57.7, -43.88 | 69.49, -15.96 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.0479 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nioi | APE10-dihe-na | -68.77, 169.09 | APE9-dihe-na | 94.26, -167.14 | APE8-dihe-in | -147.72, 134.59 | APE8-rot-in | 292.91 | APE67-dihe-out | 142.49, -27.58 | -41.24, 92.94 | APE12-dist-none | 999.0 | APE11-dist-in | 13.2922 | APE10-dist-out | 8.4459 | APE9-dist-in | 3.3559 | N772Y | None | None | XRAY | 3.4 | 0.225 | 0.285 | B | 435.0 | 383.0 | 19 | 31 | 18 | 13 | [[571, 832]] | 1.0 | 4pl5 | Mus musculus | OTHER_ERN1_MOUSE | CAMK | 3.2e-35 | 128.2 | 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_MOUSE | 4PL5C | Q9EQY0 | 562 | 963 | 977.0 | ADP:1001 | ATPlike | Inactive | DFGin | 7.7942 | 14.0613 | BLBplus | -140.3, -178.86 | 59.78, 31.79 | -102.25, 171.48 | 50.28, 80.31 | 73.36, 0.55 | out-out | out | 16.8522 | Saltbr-out | 12.6343 | HRD-in | -71.26, -29.05 | 67.43, -40.0 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.5425 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioi | APE10-dihe-na | -68.61, -176.62 | APE9-dihe-na | 79.33, -164.24 | APE8-dihe-in | -141.99, 145.59 | APE8-rot-in | 309.7 | APE67-dihe-inflip | 125.8, -7.43 | -55.77, 102.3 | APE12-dist-none | 999.0 | APE11-dist-in | 13.6845 | APE10-dist-out | 8.5993 | APE9-dist-in | 3.6488 | N772Y | None | None | XRAY | 3.4 | 0.225 | 0.285 | C | 435.0 | 386.0 | 16 | 31 | 20 | 11 | [[571, 832]] | 1.0 | 4pl5 | Mus musculus | OTHER_ERN1_MOUSE | CAMK | 3.2e-35 | 128.2 | 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_MOUSE | 4PL5D | Q9EQY0 | 561 | 963 | 977.0 | ADP:1001 | ATPlike | Inactive | DFGin | 6.8833 | 13.7093 | BLBplus | -149.88, 177.73 | 60.77, 34.53 | -99.83, 170.66 | 50.74, 82.52 | 85.0, -30.32 | out-out | out | 16.8731 | Saltbr-out | 16.3097 | HRD-in | -73.87, -31.52 | 63.42, -30.41 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.8618 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nioi | APE10-dihe-na | -64.48, 167.99 | APE9-dihe-na | 99.63, 173.49 | APE8-dihe-in | -124.29, 140.67 | APE8-rot-out | 174.47 | APE67-dihe-inflip | 122.64, -17.06 | -61.26, 114.95 | APE12-dist-none | 999.0 | APE11-dist-in | 13.2318 | APE10-dist-out | 8.1121 | APE9-dist-in | 3.9187 | N772Y | None | None | XRAY | 3.4 | 0.225 | 0.285 | D | 435.0 | 385.0 | 18 | 31 | 19 | 12 | [[571, 832]] | 1.0 | 4pl5 | Mus musculus | OTHER_ERN1_MOUSE | CAMK | 3.2e-35 | 128.2 | 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_MOUSE | 4PL5A | Q9EQY0 | 562 | 964 | 977.0 | 31L:1001,ADP:1002,PEU:1004 | Allosteric,ATPlike,Allosteric | Inactive | DFGin | 6.5845 | 13.7552 | BLBplus | -127.28, -167.94 | 47.08, 28.46 | -89.65, 160.5 | 62.46, 164.78 | 70.79, 0.93 | out-out | out | 16.2962 | Saltbr-out | 12.729 | HRD-in | -75.22, -42.28 | 71.55, -19.88 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.4865 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioi | APE10-dihe-na | -69.09, -179.67 | APE9-dihe-na | 72.79, -173.9 | APE8-dihe-in | -128.85, 142.84 | APE8-rot-in | 291.98 | APE67-dihe-inflip | 114.76, -25.15 | -48.2, 123.54 | APE12-dist-none | 999.0 | APE11-dist-in | 13.7986 | APE10-dist-out | 8.5968 | APE9-dist-in | 3.4978 | N772Y | None | None | XRAY | 3.4 | 0.225 | 0.285 | A | 435.0 | 386.0 | 17 | 31 | 19 | 12 | [[571, 832]] | 1.0 | 4pl5 | Mus musculus | OTHER_ERN1_MOUSE | CAMK | 3.2e-35 | 128.2 | 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_MOUSE | 4PL5B | Q9EQY0 | 562 | 963 | 977.0 | ADP:1001 | ATPlike | Inactive | DFGin | 7.4546 | 13.9365 | BLBplus | -129.37, -173.23 | 56.7, 18.18 | -83.15, 166.18 | 46.51, 88.1 | 78.73, -17.65 | out-out | out | 17.3785 | Saltbr-out | 14.0508 | HRD-in | -57.7, -43.88 | 69.49, -15.96 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.0479 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nioi | APE10-dihe-na | -68.77, 169.09 | APE9-dihe-na | 94.26, -167.14 | APE8-dihe-in | -147.72, 134.59 | APE8-rot-in | 292.91 | APE67-dihe-out | 142.49, -27.58 | -41.24, 92.94 | APE12-dist-none | 999.0 | APE11-dist-in | 13.2922 | APE10-dist-out | 8.4459 | APE9-dist-in | 3.3559 | N772Y | None | None | XRAY | 3.4 | 0.225 | 0.285 | B | 435.0 | 383.0 | 19 | 31 | 18 | 13 | [[571, 832]] | 1.0 | 4pl5 | Mus musculus | OTHER_ERN1_MOUSE | CAMK | 3.2e-35 | 128.2 | 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_MOUSE | 4PL5C | Q9EQY0 | 562 | 963 | 977.0 | ADP:1001 | ATPlike | Inactive | DFGin | 7.7942 | 14.0613 | BLBplus | -140.3, -178.86 | 59.78, 31.79 | -102.25, 171.48 | 50.28, 80.31 | 73.36, 0.55 | out-out | out | 16.8522 | Saltbr-out | 12.6343 | HRD-in | -71.26, -29.05 | 67.43, -40.0 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.5425 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioi | APE10-dihe-na | -68.61, -176.62 | APE9-dihe-na | 79.33, -164.24 | APE8-dihe-in | -141.99, 145.59 | APE8-rot-in | 309.7 | APE67-dihe-inflip | 125.8, -7.43 | -55.77, 102.3 | APE12-dist-none | 999.0 | APE11-dist-in | 13.6845 | APE10-dist-out | 8.5993 | APE9-dist-in | 3.6488 | N772Y | None | None | XRAY | 3.4 | 0.225 | 0.285 | C | 435.0 | 386.0 | 16 | 31 | 20 | 11 | [[571, 832]] | 1.0 | 4pl5 | Mus musculus | OTHER_ERN1_MOUSE | CAMK | 3.2e-35 | 128.2 | 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_MOUSE | 4PL5D | Q9EQY0 | 561 | 963 | 977.0 | ADP:1001 | ATPlike | Inactive | DFGin | 6.8833 | 13.7093 | BLBplus | -149.88, 177.73 | 60.77, 34.53 | -99.83, 170.66 | 50.74, 82.52 | 85.0, -30.32 | out-out | out | 16.8731 | Saltbr-out | 16.3097 | HRD-in | -73.87, -31.52 | 63.42, -30.41 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.8618 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nioi | APE10-dihe-na | -64.48, 167.99 | APE9-dihe-na | 99.63, 173.49 | APE8-dihe-in | -124.29, 140.67 | APE8-rot-out | 174.47 | APE67-dihe-inflip | 122.64, -17.06 | -61.26, 114.95 | APE12-dist-none | 999.0 | APE11-dist-in | 13.2318 | APE10-dist-out | 8.1121 | APE9-dist-in | 3.9187 | N772Y | None | None | XRAY | 3.4 | 0.225 | 0.285 | D | 435.0 | 385.0 | 18 | 31 | 19 | 12 | [[571, 832]] | 1.0 | 4pl5 | Mus musculus | OTHER_ERN1_MOUSE | CAMK | 3.2e-35 | 128.2 | 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_MOUSE | 4PL5A | Q9EQY0 | 562 | 964 | 977.0 | 31L:1001,ADP:1002,PEU:1004 | Allosteric,ATPlike,Allosteric | Inactive | DFGin | 6.5845 | 13.7552 | BLBplus | -127.28, -167.94 | 47.08, 28.46 | -89.65, 160.5 | 62.46, 164.78 | 70.79, 0.93 | out-out | out | 16.2962 | Saltbr-out | 12.729 | HRD-in | -75.22, -42.28 | 71.55, -19.88 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.4865 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioi | APE10-dihe-na | -69.09, -179.67 | APE9-dihe-na | 72.79, -173.9 | APE8-dihe-in | -128.85, 142.84 | APE8-rot-in | 291.98 | APE67-dihe-inflip | 114.76, -25.15 | -48.2, 123.54 | APE12-dist-none | 999.0 | APE11-dist-in | 13.7986 | APE10-dist-out | 8.5968 | APE9-dist-in | 3.4978 | N772Y | None | None | XRAY | 3.4 | 0.225 | 0.285 | A | 435.0 | 386.0 | 17 | 31 | 19 | 12 | [[571, 832]] | 1.0 | 4pl5 | Mus musculus | OTHER_ERN1_MOUSE | CAMK | 3.2e-35 | 128.2 | 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 |