Ligand: A1IOO

Total number of chains: 4
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 9GOWA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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 9GOWA O75460 562 964 977.0 A1IOO:1001 Type1 Active DFGin 5.7525 15.8477 BLAminus -137.11, -164.14 55.29, 61.49 -82.92, 7.86 279.34, 27.53 -61.24, -35.15 in-in in 9.2808 Saltbr-in 3.2173 HRD-in -66.48, -56.29 77.33, -1.62 in-in-in SNCiii in-in ActLoopNT-in 2.9617 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -75.9, 139.91 APE9-dihe-na 137.0, 174.42 APE8-dihe-in -105.74, 137.36 APE8-rot-in 313.93 APE67-dihe-inflip 116.47, -18.45 -55.17, 118.89 APE12-dist-in 10.6547 APE11-dist-in 11.2725 APE10-dist-in 5.2365 APE9-dist-in 3.6305 None SEP724,SEP726,SEP729 SEP724,SEP726,SEP729 XRAY 3.0 0.234 0.281 A 434.0 403.0 0 31 31 0 [[571, 832]] 1.0 9gow 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 9GOWB O75460 562 964 977.0 A1IOO:1001 Type1 Inactive DFGin 5.6591 15.5949 BLAminus -145.27, -164.83 46.92, 70.18 -87.21, 11.29 280.69, 69.55 -62.43, -36.43 in-in in 9.514 Saltbr-in 2.9159 HRD-in -81.2, -46.9 74.25, -11.86 in-in-out SNCiio in-out ActLoopNT-in 2.9113 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -59.45, 144.76 APE9-dihe-na 126.14, -167.15 APE8-dihe-in -135.75, 140.85 APE8-rot-out 210.8 APE67-dihe-inflip 99.64, -22.14 -57.98, 140.11 APE12-dist-in 10.8024 APE11-dist-in 11.1995 APE10-dist-in 5.274 APE9-dist-in 3.5398 None SEP724,SEP726,SEP729 SEP724,SEP726,SEP729 XRAY 3.0 0.234 0.281 B 434.0 403.0 0 31 31 0 [[571, 832]] 1.0 9gow 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 9GOWC O75460 562 964 977.0 A1IOO:1001 Type1 Active DFGin 5.6346 15.5587 BLAminus -132.52, 179.7 73.16, 53.18 -77.31, 13.24 285.48, 55.31 -73.1, -19.29 in-in in 9.0393 Saltbr-in 3.0186 HRD-in -82.58, -51.91 71.45, 18.84 in-in-in SNCiii in-in ActLoopNT-in 2.6297 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -81.81, 130.02 APE9-dihe-na 148.27, 178.17 APE8-dihe-in -119.07, 134.7 APE8-rot-in 323.09 APE67-dihe-inflip 99.28, -15.5 -52.59, 133.44 APE12-dist-in 10.7733 APE11-dist-in 11.2227 APE10-dist-in 5.3477 APE9-dist-in 3.6646 None SEP724,SEP726,SEP729 SEP724,SEP726,SEP729 XRAY 3.0 0.234 0.281 C 434.0 403.0 0 31 31 0 [[571, 832]] 1.0 9gow 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 9GOWD O75460 562 964 977.0 A1IOO:1001 Type1 Inactive DFGin 5.8771 15.9408 BLAminus -144.08, -162.9 48.88, 78.62 -99.04, 18.45 261.61, 69.28 -69.53, -42.63 in-out in 9.4744 Saltbr-out 3.6973 HRD-in -82.34, -51.42 71.84, 19.12 out-in-out SNCoio in-out ActLoopNT-in 2.8911 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -60.38, 141.0 APE9-dihe-na 147.72, -174.34 APE8-dihe-in -119.1, 140.61 APE8-rot-out 31.47 APE67-dihe-inflip 82.22, -18.82 -56.96, 151.1 APE12-dist-in 10.9652 APE11-dist-in 11.5215 APE10-dist-in 5.4482 APE9-dist-in 3.9357 None SEP724,SEP726,SEP729 SEP724,SEP726,SEP729 XRAY 3.0 0.234 0.281 D 434.0 303.0 2 31 31 0 [[571, 832]] 1.0 9gow 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

Ligand: A1IOO

Total number of chains: 4
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 9GOWA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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 9GOWA O75460 562 964 977.0 A1IOO:1001 Type1 Active DFGin 5.7525 15.8477 BLAminus -137.11, -164.14 55.29, 61.49 -82.92, 7.86 279.34, 27.53 -61.24, -35.15 in-in in 9.2808 Saltbr-in 3.2173 HRD-in -66.48, -56.29 77.33, -1.62 in-in-in SNCiii in-in ActLoopNT-in 2.9617 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -75.9, 139.91 APE9-dihe-na 137.0, 174.42 APE8-dihe-in -105.74, 137.36 APE8-rot-in 313.93 APE67-dihe-inflip 116.47, -18.45 -55.17, 118.89 APE12-dist-in 10.6547 APE11-dist-in 11.2725 APE10-dist-in 5.2365 APE9-dist-in 3.6305 None SEP724,SEP726,SEP729 SEP724,SEP726,SEP729 XRAY 3.0 0.234 0.281 A 434.0 403.0 0 31 31 0 [[571, 832]] 1.0 9gow 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 9GOWB O75460 562 964 977.0 A1IOO:1001 Type1 Inactive DFGin 5.6591 15.5949 BLAminus -145.27, -164.83 46.92, 70.18 -87.21, 11.29 280.69, 69.55 -62.43, -36.43 in-in in 9.514 Saltbr-in 2.9159 HRD-in -81.2, -46.9 74.25, -11.86 in-in-out SNCiio in-out ActLoopNT-in 2.9113 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -59.45, 144.76 APE9-dihe-na 126.14, -167.15 APE8-dihe-in -135.75, 140.85 APE8-rot-out 210.8 APE67-dihe-inflip 99.64, -22.14 -57.98, 140.11 APE12-dist-in 10.8024 APE11-dist-in 11.1995 APE10-dist-in 5.274 APE9-dist-in 3.5398 None SEP724,SEP726,SEP729 SEP724,SEP726,SEP729 XRAY 3.0 0.234 0.281 B 434.0 403.0 0 31 31 0 [[571, 832]] 1.0 9gow 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 9GOWC O75460 562 964 977.0 A1IOO:1001 Type1 Active DFGin 5.6346 15.5587 BLAminus -132.52, 179.7 73.16, 53.18 -77.31, 13.24 285.48, 55.31 -73.1, -19.29 in-in in 9.0393 Saltbr-in 3.0186 HRD-in -82.58, -51.91 71.45, 18.84 in-in-in SNCiii in-in ActLoopNT-in 2.6297 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -81.81, 130.02 APE9-dihe-na 148.27, 178.17 APE8-dihe-in -119.07, 134.7 APE8-rot-in 323.09 APE67-dihe-inflip 99.28, -15.5 -52.59, 133.44 APE12-dist-in 10.7733 APE11-dist-in 11.2227 APE10-dist-in 5.3477 APE9-dist-in 3.6646 None SEP724,SEP726,SEP729 SEP724,SEP726,SEP729 XRAY 3.0 0.234 0.281 C 434.0 403.0 0 31 31 0 [[571, 832]] 1.0 9gow 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 9GOWD O75460 562 964 977.0 A1IOO:1001 Type1 Inactive DFGin 5.8771 15.9408 BLAminus -144.08, -162.9 48.88, 78.62 -99.04, 18.45 261.61, 69.28 -69.53, -42.63 in-out in 9.4744 Saltbr-out 3.6973 HRD-in -82.34, -51.42 71.84, 19.12 out-in-out SNCoio in-out ActLoopNT-in 2.8911 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -60.38, 141.0 APE9-dihe-na 147.72, -174.34 APE8-dihe-in -119.1, 140.61 APE8-rot-out 31.47 APE67-dihe-inflip 82.22, -18.82 -56.96, 151.1 APE12-dist-in 10.9652 APE11-dist-in 11.5215 APE10-dist-in 5.4482 APE9-dist-in 3.9357 None SEP724,SEP726,SEP729 SEP724,SEP726,SEP729 XRAY 3.0 0.234 0.281 D 434.0 303.0 2 31 31 0 [[571, 832]] 1.0 9gow 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

Ligand: A1IOO

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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