Ligand: BFK

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% 6ELRB
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 6ELRA P23458 854 1154 1154.0 BFK:1201 Type1 Inactive DFGin 6.5967 13.5994 ABAminus -108.66, 4.92 -152.97, 140.13 -131.61, 26.62 294.97, 83.84 -57.45, -30.06 in-in in 7.7786 Saltbr-in 2.7415 HRD-in -71.99, -47.83 69.61, 1.99 in-in-out SNCiio in-out ActLoopNT-in 2.831 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -102.35, 32.0 APE9-dihe-in -64.21, 131.29 APE8-dihe-in -79.64, 72.85 APE8-rot-na 28.8 APE67-dihe-in -76.69, -6.06 -50.77, -33.65 APE12-dist-na 10.934 APE11-dist-na 12.9294 APE10-dist-na 9.9193 APE9-dist-in 6.8377 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 1.8 0.182 0.205 A 301.0 289.0 12 31 31 0 [[583, 847], [875, 1151]] 2.0 6elr 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 6ELRB P23458 865 1154 1154.0 BFK:1201 Type1 Inactive DFGin 6.6014 13.5309 ABAminus -109.26, 5.99 -154.04, 139.83 -131.25, 27.64 294.03, 83.78 -58.7, -28.76 in-in in 7.7388 Saltbr-in 2.7522 HRD-in -72.31, -47.94 70.47, 1.78 in-in-out SNCiio in-out ActLoopNT-in 2.838 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -102.07, 32.45 APE9-dihe-in -65.92, 131.99 APE8-dihe-in -78.37, 73.16 APE8-rot-na 28.72 APE67-dihe-in -77.26, -5.72 -51.85, -33.17 APE12-dist-na 11.0567 APE11-dist-na 13.1477 APE10-dist-na 10.0689 APE9-dist-in 6.8534 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 1.8 0.182 0.205 B 301.0 282.0 8 31 31 0 [[583, 847], [875, 1151]] 2.0 6elr 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: BFK

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% 6ELRB
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 6ELRA P23458 854 1154 1154.0 BFK:1201 Type1 Inactive DFGin 6.5967 13.5994 ABAminus -108.66, 4.92 -152.97, 140.13 -131.61, 26.62 294.97, 83.84 -57.45, -30.06 in-in in 7.7786 Saltbr-in 2.7415 HRD-in -71.99, -47.83 69.61, 1.99 in-in-out SNCiio in-out ActLoopNT-in 2.831 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -102.35, 32.0 APE9-dihe-in -64.21, 131.29 APE8-dihe-in -79.64, 72.85 APE8-rot-na 28.8 APE67-dihe-in -76.69, -6.06 -50.77, -33.65 APE12-dist-na 10.934 APE11-dist-na 12.9294 APE10-dist-na 9.9193 APE9-dist-in 6.8377 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 1.8 0.182 0.205 A 301.0 289.0 12 31 31 0 [[583, 847], [875, 1151]] 2.0 6elr 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 6ELRB P23458 865 1154 1154.0 BFK:1201 Type1 Inactive DFGin 6.6014 13.5309 ABAminus -109.26, 5.99 -154.04, 139.83 -131.25, 27.64 294.03, 83.78 -58.7, -28.76 in-in in 7.7388 Saltbr-in 2.7522 HRD-in -72.31, -47.94 70.47, 1.78 in-in-out SNCiio in-out ActLoopNT-in 2.838 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -102.07, 32.45 APE9-dihe-in -65.92, 131.99 APE8-dihe-in -78.37, 73.16 APE8-rot-na 28.72 APE67-dihe-in -77.26, -5.72 -51.85, -33.17 APE12-dist-na 11.0567 APE11-dist-na 13.1477 APE10-dist-na 10.0689 APE9-dist-in 6.8534 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 1.8 0.182 0.205 B 301.0 282.0 8 31 31 0 [[583, 847], [875, 1151]] 2.0 6elr 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: BFK

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