Ligand: 584

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGout None 2 66.7% 5D9KB
DFGin None 1 33.3% 5WIKB
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
AGC RPS6KA3-1 KS6A3_HUMAN 5D9KA P51812 62 359 740.0 584:401 Type1 Inactive DFGout 12.972 7.7027 None -70.85, 175.06 -99.81, -5.69 -54.85, -40.91 296.9, 103.08 -90.51, 7.61 in-out in 9.7565 Saltbr-out 5.9503 HRD-out -115.19, 98.47 -57.55, -41.76 out-out-out SNCooo out-out ActLoopNT-out 4.8953 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoi APE10-dihe-na 999.0, 132.75 APE9-dihe-na 132.11, 175.33 APE8-dihe-in -91.17, 111.44 APE8-rot-in 313.37 APE67-dihe-in -60.35, -22.61 -61.26, -30.21 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 12.9382 APE9-dist-in 5.8281 None None None XRAY 2.55 0.183 0.227 A 330.0 280.0 12 28 16 12 [[68, 327], [422, 679]] 2.0 5d9k AGC_RPS6KA3-1_HUMAN AGC 2.8e-97 330.8 1.0 260.0 260.0 210 211 212 214 216 100 118 122 190 192 191 193.0 250 238 233 232 231 230 229 228 227 148 Ribosomal protein S6 kinase alpha-3
AGC RPS6KA3-1 KS6A3_HUMAN 5D9KB P51812 62 359 740.0 584:401 Type1 Inactive DFGout 12.9401 7.7051 None -71.4, 176.28 -100.1, -5.4 -52.09, -44.72 291.08, 99.76 -90.94, 9.31 in-none in 9.81 Saltbr-none 999.0 HRD-out -114.53, 98.39 -57.41, -41.87 none-out-out SNCnoo out-out ActLoopNT-out 5.4284 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoi APE10-dihe-na 999.0, 137.48 APE9-dihe-na 131.93, 176.62 APE8-dihe-in -91.59, 110.99 APE8-rot-in 314.15 APE67-dihe-in -59.51, -22.8 -61.13, -31.1 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 13.2864 APE9-dist-in 5.8757 None None None XRAY 2.55 0.183 0.227 B 330.0 280.0 11 28 17 11 [[68, 327], [422, 679]] 2.0 5d9k AGC_RPS6KA3-1_HUMAN AGC 2.8e-97 330.8 1.0 260.0 260.0 210 211 212 214 216 100 118 122 190 192 191 193.0 250 238 233 232 231 230 229 228 227 148 Ribosomal protein S6 kinase alpha-3
TYR JAK2-1 JAK2_HUMAN 5WIKB O60674 536 809 1132.0 584:901 Type1 Pseudo DFGin 8.1996 13.4773 None -86.83, -177.1 -74.98, 154.5 -75.92, -8.34 30.63, 142.46 77.38, -163.2 out-na out 10.0153 Saltbr-na 999.0 HRD-in -75.13, -71.22 102.4, -1.09 na-out-out SNCaoo out-out ActLoopNT-out 9.4124 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -62.94, -26.86 APE9-dihe-out -70.71, -25.41 APE8-dihe-out -85.62, 4.24 APE8-rot-na 286.3 APE67-dihe-out -97.88, 28.27 -66.61, 137.0 APE12-dist-na 9.6629 APE11-dist-na 11.4185 APE10-dist-na 16.0555 APE9-dist-out 12.5943 W659A,W777A,F794H None None XRAY 2.6 0.211 0.251 B 277.0 274.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 5wik 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

Ligand: 584

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGout None 2 66.7% 5D9KB
DFGin None 1 33.3% 5WIKB
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
AGC RPS6KA3-1 KS6A3_HUMAN 5D9KA P51812 62 359 740.0 584:401 Type1 Inactive DFGout 12.972 7.7027 None -70.85, 175.06 -99.81, -5.69 -54.85, -40.91 296.9, 103.08 -90.51, 7.61 in-out in 9.7565 Saltbr-out 5.9503 HRD-out -115.19, 98.47 -57.55, -41.76 out-out-out SNCooo out-out ActLoopNT-out 4.8953 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoi APE10-dihe-na 999.0, 132.75 APE9-dihe-na 132.11, 175.33 APE8-dihe-in -91.17, 111.44 APE8-rot-in 313.37 APE67-dihe-in -60.35, -22.61 -61.26, -30.21 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 12.9382 APE9-dist-in 5.8281 None None None XRAY 2.55 0.183 0.227 A 330.0 280.0 12 28 16 12 [[68, 327], [422, 679]] 2.0 5d9k Homo sapiens AGC_RPS6KA3-1_HUMAN AGC 2.8e-97 330.8 1.0 260.0 260.0 210 211 212 214 216 100 118 122 190 192 191 193.0 250 238 233 232 231 230 229 228 227 148 Ribosomal protein S6 kinase alpha-3
AGC RPS6KA3-1 KS6A3_HUMAN 5D9KB P51812 62 359 740.0 584:401 Type1 Inactive DFGout 12.9401 7.7051 None -71.4, 176.28 -100.1, -5.4 -52.09, -44.72 291.08, 99.76 -90.94, 9.31 in-none in 9.81 Saltbr-none 999.0 HRD-out -114.53, 98.39 -57.41, -41.87 none-out-out SNCnoo out-out ActLoopNT-out 5.4284 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoi APE10-dihe-na 999.0, 137.48 APE9-dihe-na 131.93, 176.62 APE8-dihe-in -91.59, 110.99 APE8-rot-in 314.15 APE67-dihe-in -59.51, -22.8 -61.13, -31.1 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 13.2864 APE9-dist-in 5.8757 None None None XRAY 2.55 0.183 0.227 B 330.0 280.0 11 28 17 11 [[68, 327], [422, 679]] 2.0 5d9k Homo sapiens AGC_RPS6KA3-1_HUMAN AGC 2.8e-97 330.8 1.0 260.0 260.0 210 211 212 214 216 100 118 122 190 192 191 193.0 250 238 233 232 231 230 229 228 227 148 Ribosomal protein S6 kinase alpha-3
TYR JAK2-1 JAK2_HUMAN 5WIKB O60674 536 809 1132.0 584:901 Type1 Pseudo DFGin 8.1996 13.4773 None -86.83, -177.1 -74.98, 154.5 -75.92, -8.34 30.63, 142.46 77.38, -163.2 out-na out 10.0153 Saltbr-na 999.0 HRD-in -75.13, -71.22 102.4, -1.09 na-out-out SNCaoo out-out ActLoopNT-out 9.4124 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -62.94, -26.86 APE9-dihe-out -70.71, -25.41 APE8-dihe-out -85.62, 4.24 APE8-rot-na 286.3 APE67-dihe-out -97.88, 28.27 -66.61, 137.0 APE12-dist-na 9.6629 APE11-dist-na 11.4185 APE10-dist-na 16.0555 APE9-dist-out 12.5943 W659A,W777A,F794H None None XRAY 2.6 0.211 0.251 B 277.0 274.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 5wik 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

Ligand: 584

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