Ligand: SJG

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 100.0% 6W39A
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 6W39A O75460 563 963 977.0 SJG:1001 Type1 Inactive DFGin 4.5887 14.5691 BLBplus -139.66, 174.98 64.22, 28.56 -90.96, 160.06 48.25, 86.99 74.2, -3.07 in-in in 8.8536 Saltbr-in 2.8681 HRD-in -66.64, -55.32 82.3, -19.18 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanoo APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 171.9 APE8-rot-out 195.33 APE67-dihe-out 108.3, -8.16 -110.65, -131.09 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.736 0.197 0.235 A 431.0 374.0 24 31 12 19 [[571, 832]] 1.0 6w39 OTHER_ERN1_HUMAN CAMK 3.4e-35 127.9 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 6W39B O75460 563 963 977.0 SJG:1001 Type1 Inactive DFGin 4.6099 14.5377 BLBplus -144.1, 177.6 64.91, 27.62 -88.82, 154.64 46.85, 89.19 64.91, 16.36 in-in in 8.5816 Saltbr-in 3.5167 HRD-in -72.2, -52.15 80.89, -14.52 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanoo APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -179.25 APE8-rot-out 67.26 APE67-dihe-out 104.99, -2.33 -121.34, -117.38 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.736 0.197 0.235 B 431.0 374.0 25 31 12 19 [[571, 832]] 1.0 6w39 OTHER_ERN1_HUMAN CAMK 3.4e-35 127.9 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: SJG

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 100.0% 6W39A
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 6W39A O75460 563 963 977.0 SJG:1001 Type1 Inactive DFGin 4.5887 14.5691 BLBplus -139.66, 174.98 64.22, 28.56 -90.96, 160.06 48.25, 86.99 74.2, -3.07 in-in in 8.8536 Saltbr-in 2.8681 HRD-in -66.64, -55.32 82.3, -19.18 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanoo APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 171.9 APE8-rot-out 195.33 APE67-dihe-out 108.3, -8.16 -110.65, -131.09 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.736 0.197 0.235 A 431.0 374.0 24 31 12 19 [[571, 832]] 1.0 6w39 Homo sapiens OTHER_ERN1_HUMAN CAMK 3.4e-35 127.9 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 6W39B O75460 563 963 977.0 SJG:1001 Type1 Inactive DFGin 4.6099 14.5377 BLBplus -144.1, 177.6 64.91, 27.62 -88.82, 154.64 46.85, 89.19 64.91, 16.36 in-in in 8.5816 Saltbr-in 3.5167 HRD-in -72.2, -52.15 80.89, -14.52 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanoo APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -179.25 APE8-rot-out 67.26 APE67-dihe-out 104.99, -2.33 -121.34, -117.38 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.736 0.197 0.235 B 431.0 374.0 25 31 12 19 [[571, 832]] 1.0 6w39 Homo sapiens OTHER_ERN1_HUMAN CAMK 3.4e-35 127.9 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: SJG

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