Ligand: AQG

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 3 75.0% 8EX0A
DFGin BLAminus 1 25.0% 6JGMA
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
CMGC CDK2 CDK2_HUMAN 6JGMA P24941 1 298 298.0 AQG:900 Type1 Inactive DFGin 9.5491 15.5907 BLAminus -111.97, 138.12 84.08, 77.16 -91.54, 40.25 302.73, 39.97 -125.42, 999.0 out-out out 14.9292 Saltbr-out 13.8248 HRD-in -91.45, -57.13 77.4, -6.2 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 113.03 APE9-dihe-na -69.43, 143.39 APE8-dihe-in -89.14, 138.92 APE8-rot-in 298.11 APE67-dihe-in -55.83, -28.78 -108.79, -2.03 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.6838 None None None XRAY 2.3 0.218 0.29 A 299.0 279.0 19 28 13 15 [[4, 286]] 1.0 6jgm CMGC_CDK2_HUMAN CMGC 6.4e-90 307.8 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
TYR JAK2-1 JAK2_HUMAN 8B8NA O60674 536 809 1132.0 AQG:904 Type1 Pseudo DFGin 6.9922 13.5588 None -86.6, 176.83 -72.07, 163.0 -83.55, -11.71 8.83, 7.64 73.11, -166.45 out-na out 10.2232 Saltbr-na 999.0 HRD-in -77.47, -60.54 92.78, -1.1 na-out-out SNCaoo out-out ActLoopNT-out 9.2549 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -62.27, -38.06 APE9-dihe-out -61.66, -30.26 APE8-dihe-out -80.2, 3.05 APE8-rot-na 289.81 APE67-dihe-out -99.17, 33.25 -63.6, 138.44 APE12-dist-na 9.5537 APE11-dist-na 11.4484 APE10-dist-na 15.9705 APE9-dist-out 12.4531 W659A,W777A,F794H None None XRAY 2.0 0.211 0.255 A 289.0 274.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 8b8n 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 5WIJA O60674 536 809 1132.0 AQG:901 Type1 Pseudo DFGin 7.8557 13.5657 None -91.12, 177.94 -71.51, 155.95 -79.01, -8.25 29.98, 143.91 73.76, -166.11 in-na in 9.9173 Saltbr-na 999.0 HRD-in -72.47, -68.91 101.27, -5.66 na-out-out SNCaoo out-out ActLoopNT-out 9.3062 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -74.59, -26.98 APE9-dihe-out -64.74, -27.71 APE8-dihe-out -87.29, 3.84 APE8-rot-na 291.39 APE67-dihe-out -100.01, 30.88 -65.27, 134.93 APE12-dist-na 9.6175 APE11-dist-na 11.4946 APE10-dist-na 15.9937 APE9-dist-out 12.5098 W659A,W777A,F794H None None XRAY 2.04 0.209 0.231 A 277.0 274.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 5wij TYR_JAK2-1_HUMAN TYR 1.6e-64 223.6 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 8EX0A O60674 536 808 1132.0 AQG:901 Type1 Pseudo DFGin 7.4123 13.4018 None -87.55, 174.91 -71.81, 159.18 -77.63, -11.45 24.29, 145.18 73.87, -172.91 in-na in 9.643 Saltbr-na 999.0 HRD-in -81.87, -61.41 94.19, -7.67 na-out-out SNCaoo out-out ActLoopNT-out 9.6084 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -66.42, -37.24 APE9-dihe-out -64.33, -22.0 APE8-dihe-out -89.33, 0.5 APE8-rot-na 287.44 APE67-dihe-out -103.06, 26.06 -59.07, 135.76 APE12-dist-na 9.8884 APE11-dist-na 11.5611 APE10-dist-na 16.1357 APE9-dist-out 12.686 W659A,W777A,F794H None None XRAY 1.85 0.179 0.228 A 289.0 273.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 8ex0 TYR_JAK2-1_HUMAN TYR 1.9e-64 223.4 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: AQG

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 3 75.0% 8EX0A
DFGin BLAminus 1 25.0% 6JGMA
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
CMGC CDK2 CDK2_HUMAN 6JGMA P24941 1 298 298.0 AQG:900 Type1 Inactive DFGin 9.5491 15.5907 BLAminus -111.97, 138.12 84.08, 77.16 -91.54, 40.25 302.73, 39.97 -125.42, 999.0 out-out out 14.9292 Saltbr-out 13.8248 HRD-in -91.45, -57.13 77.4, -6.2 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 113.03 APE9-dihe-na -69.43, 143.39 APE8-dihe-in -89.14, 138.92 APE8-rot-in 298.11 APE67-dihe-in -55.83, -28.78 -108.79, -2.03 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.6838 None None None XRAY 2.3 0.218 0.29 A 299.0 279.0 19 28 13 15 [[4, 286]] 1.0 6jgm Homo sapiens CMGC_CDK2_HUMAN CMGC 6.4e-90 307.8 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
TYR JAK2-1 JAK2_HUMAN 8B8NA O60674 536 809 1132.0 AQG:904 Type1 Pseudo DFGin 6.9922 13.5588 None -86.6, 176.83 -72.07, 163.0 -83.55, -11.71 8.83, 7.64 73.11, -166.45 out-na out 10.2232 Saltbr-na 999.0 HRD-in -77.47, -60.54 92.78, -1.1 na-out-out SNCaoo out-out ActLoopNT-out 9.2549 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -62.27, -38.06 APE9-dihe-out -61.66, -30.26 APE8-dihe-out -80.2, 3.05 APE8-rot-na 289.81 APE67-dihe-out -99.17, 33.25 -63.6, 138.44 APE12-dist-na 9.5537 APE11-dist-na 11.4484 APE10-dist-na 15.9705 APE9-dist-out 12.4531 W659A,W777A,F794H None None XRAY 2.0 0.211 0.255 A 289.0 274.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 8b8n 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 5WIJA O60674 536 809 1132.0 AQG:901 Type1 Pseudo DFGin 7.8557 13.5657 None -91.12, 177.94 -71.51, 155.95 -79.01, -8.25 29.98, 143.91 73.76, -166.11 in-na in 9.9173 Saltbr-na 999.0 HRD-in -72.47, -68.91 101.27, -5.66 na-out-out SNCaoo out-out ActLoopNT-out 9.3062 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -74.59, -26.98 APE9-dihe-out -64.74, -27.71 APE8-dihe-out -87.29, 3.84 APE8-rot-na 291.39 APE67-dihe-out -100.01, 30.88 -65.27, 134.93 APE12-dist-na 9.6175 APE11-dist-na 11.4946 APE10-dist-na 15.9937 APE9-dist-out 12.5098 W659A,W777A,F794H None None XRAY 2.04 0.209 0.231 A 277.0 274.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 5wij Homo sapiens TYR_JAK2-1_HUMAN TYR 1.6e-64 223.6 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 8EX0A O60674 536 808 1132.0 AQG:901 Type1 Pseudo DFGin 7.4123 13.4018 None -87.55, 174.91 -71.81, 159.18 -77.63, -11.45 24.29, 145.18 73.87, -172.91 in-na in 9.643 Saltbr-na 999.0 HRD-in -81.87, -61.41 94.19, -7.67 na-out-out SNCaoo out-out ActLoopNT-out 9.6084 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -66.42, -37.24 APE9-dihe-out -64.33, -22.0 APE8-dihe-out -89.33, 0.5 APE8-rot-na 287.44 APE67-dihe-out -103.06, 26.06 -59.07, 135.76 APE12-dist-na 9.8884 APE11-dist-na 11.5611 APE10-dist-na 16.1357 APE9-dist-out 12.686 W659A,W777A,F794H None None XRAY 1.85 0.179 0.228 A 289.0 273.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 8ex0 Homo sapiens TYR_JAK2-1_HUMAN TYR 1.9e-64 223.4 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: AQG

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