Ligand: 4L5

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 4Z7HB
DFGin None 1 50.0% 4Z7HA
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 4Z7HB O75460 562 962 977.0 4L5:1001 Type1 Inactive DFGin 5.1351 14.5181 ABAminus -147.31, -25.96 -101.01, 93.63 -84.21, 0.58 280.19, 77.98 -61.73, -35.98 in-in in 8.2947 Saltbr-in 2.8804 HRD-in -73.65, -45.51 64.99, 2.13 in-in-out SNCiio in-out ActLoopNT-in 2.9362 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nioi APE10-dihe-na -82.39, -0.49 APE9-dihe-na 151.41, -152.92 APE8-dihe-in -124.62, 124.86 APE8-rot-out 45.76 APE67-dihe-inflip 103.66, -22.96 -54.37, 143.35 APE12-dist-none 999.0 APE11-dist-in 8.4359 APE10-dist-out 8.7362 APE9-dist-in 4.695 None None None XRAY 2.9 0.202 0.225 B 416.0 388.0 13 31 24 7 [[571, 832]] 1.0 4z7h OTHER_ERN1_HUMAN CAMK 3e-35 128.0 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 4Z7HA O75460 562 963 977.0 4L5:1001 Type1 Inactive DFGin 5.3928 14.9773 None -138.87, -45.43 -76.98, 88.77 -83.95, 3.75 273.49, 77.38 -61.03, -41.59 in-in in 8.8506 Saltbr-in 2.8087 HRD-in -73.17, -46.77 63.73, 3.56 in-in-out SNCiio in-out ActLoopNT-in 2.9283 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoi APE10-dihe-na 999.0, -6.85 APE9-dihe-na 151.6, -155.97 APE8-dihe-in -123.5, 123.79 APE8-rot-out 45.5 APE67-dihe-inflip 106.26, -20.23 -56.36, 141.48 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 8.6127 APE9-dist-in 4.6464 None None None XRAY 2.9 0.202 0.225 A 416.0 385.0 10 31 26 5 [[571, 832]] 1.0 4z7h OTHER_ERN1_HUMAN CAMK 3e-35 128.0 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: 4L5

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 4Z7HB
DFGin None 1 50.0% 4Z7HA
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 4Z7HB O75460 562 962 977.0 4L5:1001 Type1 Inactive DFGin 5.1351 14.5181 ABAminus -147.31, -25.96 -101.01, 93.63 -84.21, 0.58 280.19, 77.98 -61.73, -35.98 in-in in 8.2947 Saltbr-in 2.8804 HRD-in -73.65, -45.51 64.99, 2.13 in-in-out SNCiio in-out ActLoopNT-in 2.9362 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nioi APE10-dihe-na -82.39, -0.49 APE9-dihe-na 151.41, -152.92 APE8-dihe-in -124.62, 124.86 APE8-rot-out 45.76 APE67-dihe-inflip 103.66, -22.96 -54.37, 143.35 APE12-dist-none 999.0 APE11-dist-in 8.4359 APE10-dist-out 8.7362 APE9-dist-in 4.695 None None None XRAY 2.9 0.202 0.225 B 416.0 388.0 13 31 24 7 [[571, 832]] 1.0 4z7h Homo sapiens OTHER_ERN1_HUMAN CAMK 3e-35 128.0 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 4Z7HA O75460 562 963 977.0 4L5:1001 Type1 Inactive DFGin 5.3928 14.9773 None -138.87, -45.43 -76.98, 88.77 -83.95, 3.75 273.49, 77.38 -61.03, -41.59 in-in in 8.8506 Saltbr-in 2.8087 HRD-in -73.17, -46.77 63.73, 3.56 in-in-out SNCiio in-out ActLoopNT-in 2.9283 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoi APE10-dihe-na 999.0, -6.85 APE9-dihe-na 151.6, -155.97 APE8-dihe-in -123.5, 123.79 APE8-rot-out 45.5 APE67-dihe-inflip 106.26, -20.23 -56.36, 141.48 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 8.6127 APE9-dist-in 4.6464 None None None XRAY 2.9 0.202 0.225 A 416.0 385.0 10 31 26 5 [[571, 832]] 1.0 4z7h Homo sapiens OTHER_ERN1_HUMAN CAMK 3e-35 128.0 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: 4L5

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