Ligand: 4K7

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout None 3 100.0% 4YZ9A
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 4YZ9A O75460 562 964 977.0 4K7:1001 Type3 Inactive DFGout 15.9304 7.2574 None -145.42, 154.32 -79.25, -25.27 -113.1, 147.21 74.93, 92.08 -101.05, 170.75 out-out out 11.465 Saltbr-out 6.557 HRD-in -65.78, -56.93 75.18, -20.46 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 65.49 APE8-dihe-out -91.72, -3.5 APE8-rot-out 69.34 APE67-dihe-inflip 101.89, 14.03 -97.24, 145.41 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 14.7819 None None None XRAY 2.463 0.238 0.283 A 405.0 381.0 22 31 14 17 [[571, 832]] 1.0 4yz9 OTHER_ERN1_HUMAN CAMK 2.8e-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 4YZ9B O75460 563 963 977.0 4K7:1001 Type3 Inactive DFGout 17.0401 7.2662 None -150.4, 164.44 -74.79, -40.79 -115.62, 154.13 77.21, 107.48 -102.62, 170.51 out-out out 12.3592 Saltbr-out 7.6157 HRD-in -70.74, -51.1 76.22, -19.19 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 103.24, -20.76 999.0, -159.51 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.463 0.238 0.283 B 405.0 375.0 24 31 12 19 [[571, 832]] 1.0 4yz9 OTHER_ERN1_HUMAN CAMK 2.8e-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 4YZ9C O75460 562 964 977.0 4K7:1001 Type3 Inactive DFGout 15.914 7.1097 None -135.14, 175.91 -93.49, -10.88 -129.03, 149.22 68.81, 88.89 -96.28, -179.45 out-out out 11.562 Saltbr-out 6.7491 HRD-in -69.18, -49.88 66.0, -15.77 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -33.06 APE8-rot-in 308.85 APE67-dihe-inflip 96.07, 16.76 -122.57, 162.75 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.463 0.238 0.283 C 405.0 378.0 25 31 13 18 [[571, 832]] 1.0 4yz9 OTHER_ERN1_HUMAN CAMK 2.8e-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

Ligand: 4K7

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout None 3 100.0% 4YZ9A
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 4YZ9A O75460 562 964 977.0 4K7:1001 Type3 Inactive DFGout 15.9304 7.2574 None -145.42, 154.32 -79.25, -25.27 -113.1, 147.21 74.93, 92.08 -101.05, 170.75 out-out out 11.465 Saltbr-out 6.557 HRD-in -65.78, -56.93 75.18, -20.46 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 65.49 APE8-dihe-out -91.72, -3.5 APE8-rot-out 69.34 APE67-dihe-inflip 101.89, 14.03 -97.24, 145.41 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 14.7819 None None None XRAY 2.463 0.238 0.283 A 405.0 381.0 22 31 14 17 [[571, 832]] 1.0 4yz9 Homo sapiens OTHER_ERN1_HUMAN CAMK 2.8e-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 4YZ9B O75460 563 963 977.0 4K7:1001 Type3 Inactive DFGout 17.0401 7.2662 None -150.4, 164.44 -74.79, -40.79 -115.62, 154.13 77.21, 107.48 -102.62, 170.51 out-out out 12.3592 Saltbr-out 7.6157 HRD-in -70.74, -51.1 76.22, -19.19 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 103.24, -20.76 999.0, -159.51 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.463 0.238 0.283 B 405.0 375.0 24 31 12 19 [[571, 832]] 1.0 4yz9 Homo sapiens OTHER_ERN1_HUMAN CAMK 2.8e-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 4YZ9C O75460 562 964 977.0 4K7:1001 Type3 Inactive DFGout 15.914 7.1097 None -135.14, 175.91 -93.49, -10.88 -129.03, 149.22 68.81, 88.89 -96.28, -179.45 out-out out 11.562 Saltbr-out 6.7491 HRD-in -69.18, -49.88 66.0, -15.77 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -33.06 APE8-rot-in 308.85 APE67-dihe-inflip 96.07, 16.76 -122.57, 162.75 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.463 0.238 0.283 C 405.0 378.0 25 31 13 18 [[571, 832]] 1.0 4yz9 Homo sapiens OTHER_ERN1_HUMAN CAMK 2.8e-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

Ligand: 4K7

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