Ligand: T7I

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 4 100.0% 8B8UA
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 JAK2-1 JAK2_HUMAN 8B8UA O60674 536 809 1132.0 T7I:902 Type1 Pseudo DFGin 7.821 13.2982 None -86.5, 168.2 -72.83, 159.81 -77.39, -5.69 29.32, 142.66 68.85, -165.5 in-na in 9.6368 Saltbr-na 999.0 HRD-in -85.53, -63.36 91.05, -0.77 na-out-out SNCaoo out-out ActLoopNT-out 9.5857 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -62.74, -40.18 APE9-dihe-out -60.78, -27.05 APE8-dihe-out -85.5, 2.2 APE8-rot-na 288.85 APE67-dihe-out -105.88, 26.49 -64.53, 136.9 APE12-dist-na 9.8393 APE11-dist-na 11.5435 APE10-dist-na 16.1353 APE9-dist-out 12.651 W659A,W777A,F794H None None XRAY 1.5 0.224 0.259 A 289.0 274.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 8b8u TYR_JAK2-1_HUMAN TYR 3.7e-64 222.5 2.0 260.0 259.0 698 699 700 702 704 581 597 601 670 672 671 673.0 735 722 717 716 715 714 713 712 711 627 Tyrosine-protein kinase JAK2
TYR JAK2-1 JAK2_HUMAN 8B8UB O60674 538 809 1132.0 T7I:903 Type1 Pseudo DFGin 7.6842 13.3671 None -85.95, 172.23 -73.23, 159.57 -79.19, -7.74 28.18, 144.77 71.86, -165.96 in-na in 9.8706 Saltbr-na 999.0 HRD-in -85.44, -62.47 91.56, -1.37 na-out-out SNCaoo out-out ActLoopNT-out 9.4049 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -65.42, -39.8 APE9-dihe-out -61.59, -26.48 APE8-dihe-out -85.69, -0.76 APE8-rot-na 289.8 APE67-dihe-out -104.95, 23.87 -61.36, 134.02 APE12-dist-na 9.8928 APE11-dist-na 11.4874 APE10-dist-na 16.1064 APE9-dist-out 12.5476 W659A,W777A,F794H None None XRAY 1.5 0.224 0.259 B 289.0 272.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 8b8u TYR_JAK2-1_HUMAN TYR 3.7e-64 222.5 2.0 260.0 259.0 698 699 700 702 704 581 597 601 670 672 671 673.0 735 722 717 716 715 714 713 712 711 627 Tyrosine-protein kinase JAK2
TYR JAK2-1 JAK2_HUMAN 8C0AA O60674 536 809 1132.0 T7I:902 Type1 Pseudo DFGin 7.565 13.3537 None -83.75, 166.81 -71.24, 158.41 -74.12, -10.51 25.45, 142.36 78.43, -168.66 in-na in 9.5594 Saltbr-na 999.0 HRD-in -83.22, -65.0 92.23, 1.81 na-out-out SNCaoo out-out ActLoopNT-out 9.6006 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -71.23, -34.89 APE9-dihe-out -65.21, -28.5 APE8-dihe-out -84.82, 8.34 APE8-rot-na 293.37 APE67-dihe-out -106.96, 23.1 -69.15, 131.91 APE12-dist-na 9.8924 APE11-dist-na 11.6237 APE10-dist-na 16.1468 APE9-dist-out 12.5708 W659A,R683S,W777A,F794H None None XRAY 1.7 0.196 0.237 A 289.0 274.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 8c0a TYR_JAK2-1_HUMAN TYR 1.5e-64 223.7 2.0 260.0 259.0 698 699 700 702 704 581 597 601 670 672 671 673.0 735 722 717 716 715 714 713 712 711 627 Tyrosine-protein kinase JAK2
TYR JAK2-1 JAK2_HUMAN 8C0AB O60674 536 808 1132.0 T7I:902 Type1 Pseudo DFGin 7.4852 13.3983 None -84.77, 172.51 -72.53, 156.76 -75.35, -8.78 26.64, 140.87 71.28, -164.53 in-na in 9.8045 Saltbr-na 999.0 HRD-in -81.32, -65.94 88.05, 6.45 na-out-out SNCaoo out-out ActLoopNT-out 9.4136 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -64.73, -37.68 APE9-dihe-out -64.41, -27.87 APE8-dihe-out -85.03, 1.77 APE8-rot-na 284.08 APE67-dihe-out -105.43, 24.1 -65.54, 134.17 APE12-dist-na 9.7722 APE11-dist-na 11.4589 APE10-dist-na 16.0887 APE9-dist-out 12.4962 W659A,R683S,W777A,F794H None None XRAY 1.7 0.196 0.237 B 289.0 273.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 8c0a TYR_JAK2-1_HUMAN TYR 1.5e-64 223.7 2.0 260.0 259.0 698 699 700 702 704 581 597 601 670 672 671 673.0 735 722 717 716 715 714 713 712 711 627 Tyrosine-protein kinase JAK2

Ligand: T7I

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 4 100.0% 8B8UA
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 JAK2-1 JAK2_HUMAN 8B8UA O60674 536 809 1132.0 T7I:902 Type1 Pseudo DFGin 7.821 13.2982 None -86.5, 168.2 -72.83, 159.81 -77.39, -5.69 29.32, 142.66 68.85, -165.5 in-na in 9.6368 Saltbr-na 999.0 HRD-in -85.53, -63.36 91.05, -0.77 na-out-out SNCaoo out-out ActLoopNT-out 9.5857 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -62.74, -40.18 APE9-dihe-out -60.78, -27.05 APE8-dihe-out -85.5, 2.2 APE8-rot-na 288.85 APE67-dihe-out -105.88, 26.49 -64.53, 136.9 APE12-dist-na 9.8393 APE11-dist-na 11.5435 APE10-dist-na 16.1353 APE9-dist-out 12.651 W659A,W777A,F794H None None XRAY 1.5 0.224 0.259 A 289.0 274.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 8b8u Homo sapiens TYR_JAK2-1_HUMAN TYR 3.7e-64 222.5 2.0 260.0 259.0 698 699 700 702 704 581 597 601 670 672 671 673.0 735 722 717 716 715 714 713 712 711 627 Tyrosine-protein kinase JAK2
TYR JAK2-1 JAK2_HUMAN 8B8UB O60674 538 809 1132.0 T7I:903 Type1 Pseudo DFGin 7.6842 13.3671 None -85.95, 172.23 -73.23, 159.57 -79.19, -7.74 28.18, 144.77 71.86, -165.96 in-na in 9.8706 Saltbr-na 999.0 HRD-in -85.44, -62.47 91.56, -1.37 na-out-out SNCaoo out-out ActLoopNT-out 9.4049 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -65.42, -39.8 APE9-dihe-out -61.59, -26.48 APE8-dihe-out -85.69, -0.76 APE8-rot-na 289.8 APE67-dihe-out -104.95, 23.87 -61.36, 134.02 APE12-dist-na 9.8928 APE11-dist-na 11.4874 APE10-dist-na 16.1064 APE9-dist-out 12.5476 W659A,W777A,F794H None None XRAY 1.5 0.224 0.259 B 289.0 272.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 8b8u Homo sapiens TYR_JAK2-1_HUMAN TYR 3.7e-64 222.5 2.0 260.0 259.0 698 699 700 702 704 581 597 601 670 672 671 673.0 735 722 717 716 715 714 713 712 711 627 Tyrosine-protein kinase JAK2
TYR JAK2-1 JAK2_HUMAN 8C0AA O60674 536 809 1132.0 T7I:902 Type1 Pseudo DFGin 7.565 13.3537 None -83.75, 166.81 -71.24, 158.41 -74.12, -10.51 25.45, 142.36 78.43, -168.66 in-na in 9.5594 Saltbr-na 999.0 HRD-in -83.22, -65.0 92.23, 1.81 na-out-out SNCaoo out-out ActLoopNT-out 9.6006 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -71.23, -34.89 APE9-dihe-out -65.21, -28.5 APE8-dihe-out -84.82, 8.34 APE8-rot-na 293.37 APE67-dihe-out -106.96, 23.1 -69.15, 131.91 APE12-dist-na 9.8924 APE11-dist-na 11.6237 APE10-dist-na 16.1468 APE9-dist-out 12.5708 W659A,R683S,W777A,F794H None None XRAY 1.7 0.196 0.237 A 289.0 274.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 8c0a Homo sapiens TYR_JAK2-1_HUMAN TYR 1.5e-64 223.7 2.0 260.0 259.0 698 699 700 702 704 581 597 601 670 672 671 673.0 735 722 717 716 715 714 713 712 711 627 Tyrosine-protein kinase JAK2
TYR JAK2-1 JAK2_HUMAN 8C0AB O60674 536 808 1132.0 T7I:902 Type1 Pseudo DFGin 7.4852 13.3983 None -84.77, 172.51 -72.53, 156.76 -75.35, -8.78 26.64, 140.87 71.28, -164.53 in-na in 9.8045 Saltbr-na 999.0 HRD-in -81.32, -65.94 88.05, 6.45 na-out-out SNCaoo out-out ActLoopNT-out 9.4136 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -64.73, -37.68 APE9-dihe-out -64.41, -27.87 APE8-dihe-out -85.03, 1.77 APE8-rot-na 284.08 APE67-dihe-out -105.43, 24.1 -65.54, 134.17 APE12-dist-na 9.7722 APE11-dist-na 11.4589 APE10-dist-na 16.0887 APE9-dist-out 12.4962 W659A,R683S,W777A,F794H None None XRAY 1.7 0.196 0.237 B 289.0 273.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 8c0a Homo sapiens TYR_JAK2-1_HUMAN TYR 1.5e-64 223.7 2.0 260.0 259.0 698 699 700 702 704 581 597 601 670 672 671 673.0 735 722 717 716 715 714 713 712 711 627 Tyrosine-protein kinase JAK2

Ligand: T7I

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