| 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 | 9N88A | O75460 | 563 | 964 | 977.0 | No_ligand | No_ligand | Inactive | DFGin | 4.4954 | 14.3964 | BLBplus | -125.12, 173.56 | 61.62, 32.01 | -93.6, 167.16 | 52.37, 88.56 | 65.58, 27.08 | in-in | in | 8.4049 | Saltbr-in | 2.935 | HRD-in | -63.01, -46.54 | 69.36, -1.22 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoo | APE10-dihe-na | 999.0, 159.47 | APE9-dihe-na | 82.39, -50.55 | APE8-dihe-in | -47.73, 127.95 | APE8-rot-in | 291.31 | APE67-dihe-inflip | 89.37, 13.1 | -79.77, 123.09 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.4321 | APE9-dist-out | 7.9773 | None | None | None | EM | 2.6 | 999.0 | 999.0 | A | 402.0 | 379.0 | 23 | 31 | 15 | 16 | [[571, 832]] | 1.0 | 9n88 | OTHER_ERN1_HUMAN | CAMK | 2.7e-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 | 9N88E | O75460 | 563 | 964 | 977.0 | No_ligand | No_ligand | Inactive | DFGin | 4.4956 | 14.3957 | BLBplus | -125.13, 173.55 | 61.65, 32.03 | -93.6, 167.11 | 52.36, 88.6 | 65.62, 27.08 | in-in | in | 8.4049 | Saltbr-in | 2.9357 | HRD-in | -63.0, -46.58 | 69.41, -1.24 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoo | APE10-dihe-na | 999.0, 159.45 | APE9-dihe-na | 82.42, -50.53 | APE8-dihe-in | -47.73, 127.97 | APE8-rot-in | 291.31 | APE67-dihe-inflip | 89.32, 13.1 | -79.8, 123.14 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.4328 | APE9-dist-out | 7.9774 | None | None | None | EM | 2.6 | 999.0 | 999.0 | E | 402.0 | 379.0 | 23 | 31 | 15 | 16 | [[571, 832]] | 1.0 | 9n88 | OTHER_ERN1_HUMAN | CAMK | 2.7e-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 | 9N88A | O75460 | 563 | 964 | 977.0 | No_ligand | No_ligand | Inactive | DFGin | 4.4954 | 14.3964 | BLBplus | -125.12, 173.56 | 61.62, 32.01 | -93.6, 167.16 | 52.37, 88.56 | 65.58, 27.08 | in-in | in | 8.4049 | Saltbr-in | 2.935 | HRD-in | -63.01, -46.54 | 69.36, -1.22 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoo | APE10-dihe-na | 999.0, 159.47 | APE9-dihe-na | 82.39, -50.55 | APE8-dihe-in | -47.73, 127.95 | APE8-rot-in | 291.31 | APE67-dihe-inflip | 89.37, 13.1 | -79.77, 123.09 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.4321 | APE9-dist-out | 7.9773 | None | None | None | EM | 2.6 | 999.0 | 999.0 | A | 402.0 | 379.0 | 23 | 31 | 15 | 16 | [[571, 832]] | 1.0 | 9n88 | Homo sapiens | OTHER_ERN1_HUMAN | CAMK | 2.7e-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 | 9N88E | O75460 | 563 | 964 | 977.0 | No_ligand | No_ligand | Inactive | DFGin | 4.4956 | 14.3957 | BLBplus | -125.13, 173.55 | 61.65, 32.03 | -93.6, 167.11 | 52.36, 88.6 | 65.62, 27.08 | in-in | in | 8.4049 | Saltbr-in | 2.9357 | HRD-in | -63.0, -46.58 | 69.41, -1.24 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoo | APE10-dihe-na | 999.0, 159.45 | APE9-dihe-na | 82.42, -50.53 | APE8-dihe-in | -47.73, 127.97 | APE8-rot-in | 291.31 | APE67-dihe-inflip | 89.32, 13.1 | -79.8, 123.14 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.4328 | APE9-dist-out | 7.9774 | None | None | None | EM | 2.6 | 999.0 | 999.0 | E | 402.0 | 379.0 | 23 | 31 | 15 | 16 | [[571, 832]] | 1.0 | 9n88 | Homo sapiens | OTHER_ERN1_HUMAN | CAMK | 2.7e-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 |
|---|