Ligand: N97

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6XDDB
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 6XDDB O75460 560 963 977.0 N97:1001 Type1.5_Back Inactive DFGin 7.1088 14.5264 BLAminus -139.89, -179.2 70.17, 73.7 -98.79, 17.74 298.51, 86.41 -64.67, -28.57 in-out in 9.9623 Saltbr-out 5.494 HRD-in -74.08, -50.98 72.16, 2.0 out-in-in SNCoii in-in ActLoopNT-in 2.9257 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -71.87, 142.87 APE9-dihe-na 140.33, 179.07 APE8-dihe-in -119.71, 134.07 APE8-rot-in 305.81 APE67-dihe-inflip 102.26, -11.35 -53.88, 126.31 APE12-dist-in 10.9744 APE11-dist-in 10.707 APE10-dist-in 4.783 APE9-dist-in 3.4813 None SEP724,SEP726,SEP729 SEP724,SEP726,SEP729 XRAY 2.4 0.2 0.238 B 434.0 404.0 0 31 31 0 [[571, 832]] 1.0 6xdd 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 6XDDA O75460 560 963 977.0 N97:1001 Type1.5_Front Inactive DFGin 5.4887 15.2052 BLAminus -139.2, -157.42 53.89, 65.22 -88.09, 16.93 282.86, 65.69 -65.77, -21.13 out-out out 11.1885 Saltbr-out 12.0422 HRD-in -80.68, -53.29 75.03, 2.35 out-in-out SNCoio in-out ActLoopNT-in 2.9111 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oiio APE10-dihe-na -59.07, 142.31 APE9-dihe-na -71.86, -26.93 APE8-dihe-in -99.41, 120.0 APE8-rot-in 319.4 APE67-dihe-out 115.13, -26.59 -99.28, -175.8 APE12-dist-out 6.004 APE11-dist-in 9.1143 APE10-dist-in 7.3471 APE9-dist-out 9.0162 None SEP724,SEP726,SEP729 SEP724,SEP726,SEP729 XRAY 2.4 0.2 0.238 A 434.0 404.0 0 31 31 0 [[571, 832]] 1.0 6xdd 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: N97

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6XDDB
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 6XDDB O75460 560 963 977.0 N97:1001 Type1.5_Back Inactive DFGin 7.1088 14.5264 BLAminus -139.89, -179.2 70.17, 73.7 -98.79, 17.74 298.51, 86.41 -64.67, -28.57 in-out in 9.9623 Saltbr-out 5.494 HRD-in -74.08, -50.98 72.16, 2.0 out-in-in SNCoii in-in ActLoopNT-in 2.9257 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -71.87, 142.87 APE9-dihe-na 140.33, 179.07 APE8-dihe-in -119.71, 134.07 APE8-rot-in 305.81 APE67-dihe-inflip 102.26, -11.35 -53.88, 126.31 APE12-dist-in 10.9744 APE11-dist-in 10.707 APE10-dist-in 4.783 APE9-dist-in 3.4813 None SEP724,SEP726,SEP729 SEP724,SEP726,SEP729 XRAY 2.4 0.2 0.238 B 434.0 404.0 0 31 31 0 [[571, 832]] 1.0 6xdd 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 6XDDA O75460 560 963 977.0 N97:1001 Type1.5_Front Inactive DFGin 5.4887 15.2052 BLAminus -139.2, -157.42 53.89, 65.22 -88.09, 16.93 282.86, 65.69 -65.77, -21.13 out-out out 11.1885 Saltbr-out 12.0422 HRD-in -80.68, -53.29 75.03, 2.35 out-in-out SNCoio in-out ActLoopNT-in 2.9111 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oiio APE10-dihe-na -59.07, 142.31 APE9-dihe-na -71.86, -26.93 APE8-dihe-in -99.41, 120.0 APE8-rot-in 319.4 APE67-dihe-out 115.13, -26.59 -99.28, -175.8 APE12-dist-out 6.004 APE11-dist-in 9.1143 APE10-dist-in 7.3471 APE9-dist-out 9.0162 None SEP724,SEP726,SEP729 SEP724,SEP726,SEP729 XRAY 2.4 0.2 0.238 A 434.0 404.0 0 31 31 0 [[571, 832]] 1.0 6xdd 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: N97

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