Ligand: LWX

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 3 75.0% 8HMTA
DFGin None 1 25.0% 8HMTD
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 TNK2 ACK1_HUMAN 8HMTA Q07912 117 389 1038.0 LWX:401 Type1.5_Back Inactive DFGin 6.4729 13.951 ABAminus -118.49, 19.83 -162.39, 140.84 -133.87, 20.8 306.3, 104.45 -62.09, -37.78 in-out in 9.0421 Saltbr-out 3.7008 HRD-in -83.9, -47.14 69.67, 4.35 out-in-in SNCoii in-in ActLoopNT-in 3.1982 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -131.87, 119.25 APE9-dihe-in -119.04, 129.31 APE8-dihe-in -48.41, 121.71 APE8-rot-na 329.76 APE67-dihe-in -54.06, -45.26 -70.98, -26.96 APE12-dist-na 11.8922 APE11-dist-na 7.0236 APE10-dist-na 10.3283 APE9-dist-in 6.2242 None None None XRAY 3.17 0.209 0.264 A 273.0 270.0 3 31 31 0 [[126, 387]] 1.0 8hmt TYR_TNK2_HUMAN TYR 7.1e-86 293.6 1.0 259.0 259.0 269 270 271 273 275 158 177 181 249 251 250 252.0 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
TYR TNK2 ACK1_HUMAN 8HMTB Q07912 117 388 1038.0 LWX:401 Type1.5_Back Inactive DFGin 6.5293 13.483 ABAminus -91.46, -72.88 -101.02, 153.06 -135.07, 25.09 315.45, 85.41 -54.87, -35.23 in-in in 8.8835 Saltbr-in 3.5996 HRD-in -84.2, -43.48 69.63, 0.96 in-in-in SNCiii in-in ActLoopNT-in 3.0633 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -126.21, 93.78 APE9-dihe-in -110.75, 147.04 APE8-dihe-in -62.13, 122.57 APE8-rot-na 330.26 APE67-dihe-in -58.09, -48.9 -67.75, -29.14 APE12-dist-na 12.2872 APE11-dist-na 7.6989 APE10-dist-na 10.1436 APE9-dist-in 6.7515 None None None XRAY 3.17 0.209 0.264 B 273.0 269.0 3 31 31 0 [[126, 387]] 1.0 8hmt TYR_TNK2_HUMAN TYR 7.1e-86 293.6 1.0 259.0 259.0 269 270 271 273 275 158 177 181 249 251 250 252.0 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
TYR TNK2 ACK1_HUMAN 8HMTC Q07912 117 389 1038.0 LWX:401 Type1.5_Back Inactive DFGin 6.6912 13.3132 ABAminus -131.24, 29.48 -133.92, 126.7 -139.44, 20.75 308.54, 95.78 -72.46, -43.8 in-out in 8.8786 Saltbr-out 6.2022 HRD-in -85.66, -46.96 68.19, 1.14 out-in-in SNCoii in-in ActLoopNT-in 3.0707 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -138.97, 132.16 APE9-dihe-in -105.55, 149.15 APE8-dihe-in -44.92, 133.48 APE8-rot-na 327.23 APE67-dihe-in -37.27, -59.27 -63.72, -43.44 APE12-dist-na 12.373 APE11-dist-na 7.1129 APE10-dist-na 10.7313 APE9-dist-in 5.9562 None None None XRAY 3.17 0.209 0.264 C 273.0 262.0 11 31 31 0 [[126, 387]] 1.0 8hmt TYR_TNK2_HUMAN TYR 7.1e-86 293.6 1.0 259.0 259.0 269 270 271 273 275 158 177 181 249 251 250 252.0 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
TYR TNK2 ACK1_HUMAN 8HMTD Q07912 117 389 1038.0 LWX:401 Type1.5_Back Inactive DFGin 6.3063 13.3328 None -101.89, -122.34 -52.57, 148.88 -124.51, 20.24 302.36, 99.89 -60.05, -38.85 in-out in 8.5635 Saltbr-out 3.702 HRD-in -85.57, -47.32 68.53, 3.51 out-in-in SNCoii in-in ActLoopNT-in 3.0608 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -109.15, 128.97 APE9-dihe-in -122.52, 150.9 APE8-dihe-in -68.07, 94.15 APE8-rot-na 328.13 APE67-dihe-in -58.59, -46.12 -66.12, -27.69 APE12-dist-na 12.502 APE11-dist-na 7.8076 APE10-dist-na 10.8535 APE9-dist-in 5.8558 None None None XRAY 3.17 0.209 0.264 D 273.0 262.0 11 31 31 0 [[126, 387]] 1.0 8hmt TYR_TNK2_HUMAN TYR 7.1e-86 293.6 1.0 259.0 259.0 269 270 271 273 275 158 177 181 249 251 250 252.0 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1

Ligand: LWX

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 3 75.0% 8HMTA
DFGin None 1 25.0% 8HMTD
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 TNK2 ACK1_HUMAN 8HMTA Q07912 117 389 1038.0 LWX:401 Type1.5_Back Inactive DFGin 6.4729 13.951 ABAminus -118.49, 19.83 -162.39, 140.84 -133.87, 20.8 306.3, 104.45 -62.09, -37.78 in-out in 9.0421 Saltbr-out 3.7008 HRD-in -83.9, -47.14 69.67, 4.35 out-in-in SNCoii in-in ActLoopNT-in 3.1982 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -131.87, 119.25 APE9-dihe-in -119.04, 129.31 APE8-dihe-in -48.41, 121.71 APE8-rot-na 329.76 APE67-dihe-in -54.06, -45.26 -70.98, -26.96 APE12-dist-na 11.8922 APE11-dist-na 7.0236 APE10-dist-na 10.3283 APE9-dist-in 6.2242 None None None XRAY 3.17 0.209 0.264 A 273.0 270.0 3 31 31 0 [[126, 387]] 1.0 8hmt Homo sapiens TYR_TNK2_HUMAN TYR 7.1e-86 293.6 1.0 259.0 259.0 269 270 271 273 275 158 177 181 249 251 250 252.0 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
TYR TNK2 ACK1_HUMAN 8HMTB Q07912 117 388 1038.0 LWX:401 Type1.5_Back Inactive DFGin 6.5293 13.483 ABAminus -91.46, -72.88 -101.02, 153.06 -135.07, 25.09 315.45, 85.41 -54.87, -35.23 in-in in 8.8835 Saltbr-in 3.5996 HRD-in -84.2, -43.48 69.63, 0.96 in-in-in SNCiii in-in ActLoopNT-in 3.0633 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -126.21, 93.78 APE9-dihe-in -110.75, 147.04 APE8-dihe-in -62.13, 122.57 APE8-rot-na 330.26 APE67-dihe-in -58.09, -48.9 -67.75, -29.14 APE12-dist-na 12.2872 APE11-dist-na 7.6989 APE10-dist-na 10.1436 APE9-dist-in 6.7515 None None None XRAY 3.17 0.209 0.264 B 273.0 269.0 3 31 31 0 [[126, 387]] 1.0 8hmt Homo sapiens TYR_TNK2_HUMAN TYR 7.1e-86 293.6 1.0 259.0 259.0 269 270 271 273 275 158 177 181 249 251 250 252.0 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
TYR TNK2 ACK1_HUMAN 8HMTC Q07912 117 389 1038.0 LWX:401 Type1.5_Back Inactive DFGin 6.6912 13.3132 ABAminus -131.24, 29.48 -133.92, 126.7 -139.44, 20.75 308.54, 95.78 -72.46, -43.8 in-out in 8.8786 Saltbr-out 6.2022 HRD-in -85.66, -46.96 68.19, 1.14 out-in-in SNCoii in-in ActLoopNT-in 3.0707 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -138.97, 132.16 APE9-dihe-in -105.55, 149.15 APE8-dihe-in -44.92, 133.48 APE8-rot-na 327.23 APE67-dihe-in -37.27, -59.27 -63.72, -43.44 APE12-dist-na 12.373 APE11-dist-na 7.1129 APE10-dist-na 10.7313 APE9-dist-in 5.9562 None None None XRAY 3.17 0.209 0.264 C 273.0 262.0 11 31 31 0 [[126, 387]] 1.0 8hmt Homo sapiens TYR_TNK2_HUMAN TYR 7.1e-86 293.6 1.0 259.0 259.0 269 270 271 273 275 158 177 181 249 251 250 252.0 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
TYR TNK2 ACK1_HUMAN 8HMTD Q07912 117 389 1038.0 LWX:401 Type1.5_Back Inactive DFGin 6.3063 13.3328 None -101.89, -122.34 -52.57, 148.88 -124.51, 20.24 302.36, 99.89 -60.05, -38.85 in-out in 8.5635 Saltbr-out 3.702 HRD-in -85.57, -47.32 68.53, 3.51 out-in-in SNCoii in-in ActLoopNT-in 3.0608 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -109.15, 128.97 APE9-dihe-in -122.52, 150.9 APE8-dihe-in -68.07, 94.15 APE8-rot-na 328.13 APE67-dihe-in -58.59, -46.12 -66.12, -27.69 APE12-dist-na 12.502 APE11-dist-na 7.8076 APE10-dist-na 10.8535 APE9-dist-in 5.8558 None None None XRAY 3.17 0.209 0.264 D 273.0 262.0 11 31 31 0 [[126, 387]] 1.0 8hmt Homo sapiens TYR_TNK2_HUMAN TYR 7.1e-86 293.6 1.0 259.0 259.0 269 270 271 273 275 158 177 181 249 251 250 252.0 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1

Ligand: LWX

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