Ligand: KHE

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 100.0% 6RSHA
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
TYR JAK1-2 JAK1_HUMAN 6RSHA P23458 865 1154 1154.0 KHE:1201 Type1 Inactive DFGin 6.6345 13.4865 ABAminus -113.16, 6.59 -151.95, 137.99 -130.33, 27.13 294.82, 88.08 -65.9, -20.74 in-in in 7.4405 Saltbr-in 2.5318 HRD-in -77.26, -48.19 64.78, 14.62 in-in-out SNCiio in-out ActLoopNT-in 2.6944 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out 87.06, 32.22 APE9-dihe-in -74.25, 135.13 APE8-dihe-in -77.78, 76.14 APE8-rot-na 33.2 APE67-dihe-in -80.47, -5.2 -61.66, -26.89 APE12-dist-na 11.1674 APE11-dist-na 12.6391 APE10-dist-na 10.2352 APE9-dist-in 6.904 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 1.71 0.271 0.311 A 302.0 286.0 4 31 31 0 [[583, 847], [875, 1151]] 2.0 6rsh TYR_JAK1-2_HUMAN TYR 2.2e-87 298.6 2.0 259.0 258.0 1020 1021 1022 1024 1026 908 925 929 1000 1002 1001 1003.0 1063 1051 1046 1045 1044 1043 1042 1041 1040 957 Tyrosine-protein kinase JAK1
TYR JAK1-2 JAK1_HUMAN 6RSHB P23458 865 1154 1154.0 KHE:1201 Type1 Inactive DFGin 6.627 13.8518 ABAminus -116.98, -3.62 -146.38, 138.52 -131.28, 30.89 293.47, 79.95 -64.48, -19.44 in-in in 7.784 Saltbr-in 2.3752 HRD-in -81.26, -46.13 68.12, 10.14 in-in-out SNCiio in-out ActLoopNT-in 2.878 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out 90.62, 16.91 APE9-dihe-in -58.11, 134.31 APE8-dihe-in -78.21, 75.43 APE8-rot-na 34.5 APE67-dihe-in -75.52, -2.49 -58.55, -33.71 APE12-dist-na 11.2189 APE11-dist-na 13.047 APE10-dist-na 10.4487 APE9-dist-in 6.9603 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 1.71 0.271 0.311 B 302.0 281.0 9 31 31 0 [[583, 847], [875, 1151]] 2.0 6rsh TYR_JAK1-2_HUMAN TYR 2.2e-87 298.6 2.0 259.0 258.0 1020 1021 1022 1024 1026 908 925 929 1000 1002 1001 1003.0 1063 1051 1046 1045 1044 1043 1042 1041 1040 957 Tyrosine-protein kinase JAK1

Ligand: KHE

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 100.0% 6RSHA
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
TYR JAK1-2 JAK1_HUMAN 6RSHA P23458 865 1154 1154.0 KHE:1201 Type1 Inactive DFGin 6.6345 13.4865 ABAminus -113.16, 6.59 -151.95, 137.99 -130.33, 27.13 294.82, 88.08 -65.9, -20.74 in-in in 7.4405 Saltbr-in 2.5318 HRD-in -77.26, -48.19 64.78, 14.62 in-in-out SNCiio in-out ActLoopNT-in 2.6944 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out 87.06, 32.22 APE9-dihe-in -74.25, 135.13 APE8-dihe-in -77.78, 76.14 APE8-rot-na 33.2 APE67-dihe-in -80.47, -5.2 -61.66, -26.89 APE12-dist-na 11.1674 APE11-dist-na 12.6391 APE10-dist-na 10.2352 APE9-dist-in 6.904 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 1.71 0.271 0.311 A 302.0 286.0 4 31 31 0 [[583, 847], [875, 1151]] 2.0 6rsh Homo sapiens TYR_JAK1-2_HUMAN TYR 2.2e-87 298.6 2.0 259.0 258.0 1020 1021 1022 1024 1026 908 925 929 1000 1002 1001 1003.0 1063 1051 1046 1045 1044 1043 1042 1041 1040 957 Tyrosine-protein kinase JAK1
TYR JAK1-2 JAK1_HUMAN 6RSHB P23458 865 1154 1154.0 KHE:1201 Type1 Inactive DFGin 6.627 13.8518 ABAminus -116.98, -3.62 -146.38, 138.52 -131.28, 30.89 293.47, 79.95 -64.48, -19.44 in-in in 7.784 Saltbr-in 2.3752 HRD-in -81.26, -46.13 68.12, 10.14 in-in-out SNCiio in-out ActLoopNT-in 2.878 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out 90.62, 16.91 APE9-dihe-in -58.11, 134.31 APE8-dihe-in -78.21, 75.43 APE8-rot-na 34.5 APE67-dihe-in -75.52, -2.49 -58.55, -33.71 APE12-dist-na 11.2189 APE11-dist-na 13.047 APE10-dist-na 10.4487 APE9-dist-in 6.9603 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 1.71 0.271 0.311 B 302.0 281.0 9 31 31 0 [[583, 847], [875, 1151]] 2.0 6rsh Homo sapiens TYR_JAK1-2_HUMAN TYR 2.2e-87 298.6 2.0 259.0 258.0 1020 1021 1022 1024 1026 908 925 929 1000 1002 1001 1003.0 1063 1051 1046 1045 1044 1043 1042 1041 1040 957 Tyrosine-protein kinase JAK1

Ligand: KHE

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