Ligand: A1H5R

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% 8S85B
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 8S85A P23458 854 1154 1154.0 A1H5R:61201 Type1 Inactive DFGin 6.6301 13.3454 ABAminus -112.23, -7.17 -149.03, 146.72 -132.22, 30.5 297.85, 84.4 -54.75, -31.9 in-in in 7.8523 Saltbr-in 2.6184 HRD-in -76.09, -48.85 71.09, 5.36 in-in-out SNCiio in-out ActLoopNT-in 2.8373 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out 58.53, 30.92 APE9-dihe-in -76.65, 137.48 APE8-dihe-in -75.77, 75.79 APE8-rot-na 30.15 APE67-dihe-in -76.06, -7.29 -58.07, -32.61 APE12-dist-na 11.2659 APE11-dist-na 12.6789 APE10-dist-na 10.4668 APE9-dist-in 6.8782 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 1.75 0.21 0.25 A 302.0 292.0 9 31 31 0 [[583, 847], [875, 1151]] 2.0 8s85 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 8S85B P23458 865 1154 1154.0 A1H5R:61201 Type1 Inactive DFGin 6.6963 13.3555 ABAminus -114.2, -1.94 -152.98, 142.26 -130.74, 31.83 294.81, 85.33 -58.52, -32.2 in-in in 7.7445 Saltbr-in 2.6138 HRD-in -77.39, -48.2 72.5, 8.27 in-in-out SNCiio in-out ActLoopNT-in 2.8906 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -105.67, 37.06 APE9-dihe-in -66.96, 136.92 APE8-dihe-in -79.85, 74.06 APE8-rot-na 34.04 APE67-dihe-in -73.04, -6.17 -58.28, -33.1 APE12-dist-na 11.159 APE11-dist-na 13.0981 APE10-dist-na 10.4532 APE9-dist-in 6.7965 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 1.75 0.21 0.25 B 302.0 283.0 7 31 31 0 [[583, 847], [875, 1151]] 2.0 8s85 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: A1H5R

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% 8S85B
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 8S85A P23458 854 1154 1154.0 A1H5R:61201 Type1 Inactive DFGin 6.6301 13.3454 ABAminus -112.23, -7.17 -149.03, 146.72 -132.22, 30.5 297.85, 84.4 -54.75, -31.9 in-in in 7.8523 Saltbr-in 2.6184 HRD-in -76.09, -48.85 71.09, 5.36 in-in-out SNCiio in-out ActLoopNT-in 2.8373 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out 58.53, 30.92 APE9-dihe-in -76.65, 137.48 APE8-dihe-in -75.77, 75.79 APE8-rot-na 30.15 APE67-dihe-in -76.06, -7.29 -58.07, -32.61 APE12-dist-na 11.2659 APE11-dist-na 12.6789 APE10-dist-na 10.4668 APE9-dist-in 6.8782 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 1.75 0.21 0.25 A 302.0 292.0 9 31 31 0 [[583, 847], [875, 1151]] 2.0 8s85 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 8S85B P23458 865 1154 1154.0 A1H5R:61201 Type1 Inactive DFGin 6.6963 13.3555 ABAminus -114.2, -1.94 -152.98, 142.26 -130.74, 31.83 294.81, 85.33 -58.52, -32.2 in-in in 7.7445 Saltbr-in 2.6138 HRD-in -77.39, -48.2 72.5, 8.27 in-in-out SNCiio in-out ActLoopNT-in 2.8906 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -105.67, 37.06 APE9-dihe-in -66.96, 136.92 APE8-dihe-in -79.85, 74.06 APE8-rot-na 34.04 APE67-dihe-in -73.04, -6.17 -58.28, -33.1 APE12-dist-na 11.159 APE11-dist-na 13.0981 APE10-dist-na 10.4532 APE9-dist-in 6.7965 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 1.75 0.21 0.25 B 302.0 283.0 7 31 31 0 [[583, 847], [875, 1151]] 2.0 8s85 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: A1H5R

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