| 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 | 4Z7HB | O75460 | 562 | 962 | 977.0 | 4L5:1001 | Type1 | Inactive | DFGin | 5.1351 | 14.5181 | ABAminus | -147.31, -25.96 | -101.01, 93.63 | -84.21, 0.58 | 280.19, 77.98 | -61.73, -35.98 | in-in | in | 8.2947 | Saltbr-in | 2.8804 | HRD-in | -73.65, -45.51 | 64.99, 2.13 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9362 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nioi | APE10-dihe-na | -82.39, -0.49 | APE9-dihe-na | 151.41, -152.92 | APE8-dihe-in | -124.62, 124.86 | APE8-rot-out | 45.76 | APE67-dihe-inflip | 103.66, -22.96 | -54.37, 143.35 | APE12-dist-none | 999.0 | APE11-dist-in | 8.4359 | APE10-dist-out | 8.7362 | APE9-dist-in | 4.695 | None | None | None | XRAY | 2.9 | 0.202 | 0.225 | B | 416.0 | 388.0 | 13 | 31 | 24 | 7 | [[571, 832]] | 1.0 | 4z7h | OTHER_ERN1_HUMAN | CAMK | 3e-35 | 128.0 | 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 | 4Z7HA | O75460 | 562 | 963 | 977.0 | 4L5:1001 | Type1 | Inactive | DFGin | 5.3928 | 14.9773 | None | -138.87, -45.43 | -76.98, 88.77 | -83.95, 3.75 | 273.49, 77.38 | -61.03, -41.59 | in-in | in | 8.8506 | Saltbr-in | 2.8087 | HRD-in | -73.17, -46.77 | 63.73, 3.56 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9283 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoi | APE10-dihe-na | 999.0, -6.85 | APE9-dihe-na | 151.6, -155.97 | APE8-dihe-in | -123.5, 123.79 | APE8-rot-out | 45.5 | APE67-dihe-inflip | 106.26, -20.23 | -56.36, 141.48 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.6127 | APE9-dist-in | 4.6464 | None | None | None | XRAY | 2.9 | 0.202 | 0.225 | A | 416.0 | 385.0 | 10 | 31 | 26 | 5 | [[571, 832]] | 1.0 | 4z7h | OTHER_ERN1_HUMAN | CAMK | 3e-35 | 128.0 | 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 | 4Z7HB | O75460 | 562 | 962 | 977.0 | 4L5:1001 | Type1 | Inactive | DFGin | 5.1351 | 14.5181 | ABAminus | -147.31, -25.96 | -101.01, 93.63 | -84.21, 0.58 | 280.19, 77.98 | -61.73, -35.98 | in-in | in | 8.2947 | Saltbr-in | 2.8804 | HRD-in | -73.65, -45.51 | 64.99, 2.13 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9362 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nioi | APE10-dihe-na | -82.39, -0.49 | APE9-dihe-na | 151.41, -152.92 | APE8-dihe-in | -124.62, 124.86 | APE8-rot-out | 45.76 | APE67-dihe-inflip | 103.66, -22.96 | -54.37, 143.35 | APE12-dist-none | 999.0 | APE11-dist-in | 8.4359 | APE10-dist-out | 8.7362 | APE9-dist-in | 4.695 | None | None | None | XRAY | 2.9 | 0.202 | 0.225 | B | 416.0 | 388.0 | 13 | 31 | 24 | 7 | [[571, 832]] | 1.0 | 4z7h | Homo sapiens | OTHER_ERN1_HUMAN | CAMK | 3e-35 | 128.0 | 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 | 4Z7HA | O75460 | 562 | 963 | 977.0 | 4L5:1001 | Type1 | Inactive | DFGin | 5.3928 | 14.9773 | None | -138.87, -45.43 | -76.98, 88.77 | -83.95, 3.75 | 273.49, 77.38 | -61.03, -41.59 | in-in | in | 8.8506 | Saltbr-in | 2.8087 | HRD-in | -73.17, -46.77 | 63.73, 3.56 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9283 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoi | APE10-dihe-na | 999.0, -6.85 | APE9-dihe-na | 151.6, -155.97 | APE8-dihe-in | -123.5, 123.79 | APE8-rot-out | 45.5 | APE67-dihe-inflip | 106.26, -20.23 | -56.36, 141.48 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.6127 | APE9-dist-in | 4.6464 | None | None | None | XRAY | 2.9 | 0.202 | 0.225 | A | 416.0 | 385.0 | 10 | 31 | 26 | 5 | [[571, 832]] | 1.0 | 4z7h | Homo sapiens | OTHER_ERN1_HUMAN | CAMK | 3e-35 | 128.0 | 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 |
|---|