Ligand: LKQ

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% 6SMBA
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 6SMBA P23458 863 1153 1154.0 LKQ:1201 Type1 Inactive DFGin 6.6066 13.7308 ABAminus -104.09, 12.38 -161.47, 134.46 -125.84, 26.47 298.3, 80.99 -58.62, -24.17 in-in in 7.8314 Saltbr-in 2.6426 HRD-in -73.47, -45.53 65.45, 5.36 in-in-out SNCiio in-out ActLoopNT-in 2.7488 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -94.53, 41.14 APE9-dihe-in -70.01, 131.09 APE8-dihe-in -75.02, 72.06 APE8-rot-na 25.33 APE67-dihe-in -73.28, -2.79 -51.04, -36.86 APE12-dist-na 12.0201 APE11-dist-na 12.7163 APE10-dist-na 10.2351 APE9-dist-in 6.7545 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 2.04 0.224 0.265 A 301.0 288.0 3 31 31 0 [[583, 847], [875, 1151]] 2.0 6smb TYR_JAK1-2_HUMAN TYR 2.1e-87 298.7 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 6SMBB P23458 863 1153 1154.0 LKQ:1201 Type1 Inactive DFGin 6.6183 13.8112 ABAminus -106.29, 15.46 -163.61, 135.62 -126.74, 26.38 298.65, 81.43 -58.83, -23.63 in-in in 7.8691 Saltbr-in 2.6267 HRD-in -72.91, -46.19 66.2, 3.06 in-in-out SNCiio in-out ActLoopNT-in 2.7449 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out 76.78, 22.71 APE9-dihe-in -68.31, 133.01 APE8-dihe-in -75.13, 72.89 APE8-rot-na 25.36 APE67-dihe-in -72.9, -3.33 -50.86, -36.85 APE12-dist-na 10.8308 APE11-dist-na 12.5749 APE10-dist-na 10.4555 APE9-dist-in 6.6799 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 2.04 0.224 0.265 B 301.0 282.0 9 31 31 0 [[583, 847], [875, 1151]] 2.0 6smb TYR_JAK1-2_HUMAN TYR 2.1e-87 298.7 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: LKQ

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% 6SMBA
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 6SMBA P23458 863 1153 1154.0 LKQ:1201 Type1 Inactive DFGin 6.6066 13.7308 ABAminus -104.09, 12.38 -161.47, 134.46 -125.84, 26.47 298.3, 80.99 -58.62, -24.17 in-in in 7.8314 Saltbr-in 2.6426 HRD-in -73.47, -45.53 65.45, 5.36 in-in-out SNCiio in-out ActLoopNT-in 2.7488 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -94.53, 41.14 APE9-dihe-in -70.01, 131.09 APE8-dihe-in -75.02, 72.06 APE8-rot-na 25.33 APE67-dihe-in -73.28, -2.79 -51.04, -36.86 APE12-dist-na 12.0201 APE11-dist-na 12.7163 APE10-dist-na 10.2351 APE9-dist-in 6.7545 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 2.04 0.224 0.265 A 301.0 288.0 3 31 31 0 [[583, 847], [875, 1151]] 2.0 6smb Homo sapiens TYR_JAK1-2_HUMAN TYR 2.1e-87 298.7 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 6SMBB P23458 863 1153 1154.0 LKQ:1201 Type1 Inactive DFGin 6.6183 13.8112 ABAminus -106.29, 15.46 -163.61, 135.62 -126.74, 26.38 298.65, 81.43 -58.83, -23.63 in-in in 7.8691 Saltbr-in 2.6267 HRD-in -72.91, -46.19 66.2, 3.06 in-in-out SNCiio in-out ActLoopNT-in 2.7449 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out 76.78, 22.71 APE9-dihe-in -68.31, 133.01 APE8-dihe-in -75.13, 72.89 APE8-rot-na 25.36 APE67-dihe-in -72.9, -3.33 -50.86, -36.85 APE12-dist-na 10.8308 APE11-dist-na 12.5749 APE10-dist-na 10.4555 APE9-dist-in 6.6799 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 2.04 0.224 0.265 B 301.0 282.0 9 31 31 0 [[583, 847], [875, 1151]] 2.0 6smb Homo sapiens TYR_JAK1-2_HUMAN TYR 2.1e-87 298.7 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: LKQ

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