Ligand: T74

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% 3EQRB
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 3EQRA Q07912 117 392 1038.0 T74:1 Type1.5_Back Inactive DFGin 6.8667 13.3824 ABAminus -128.87, 39.52 -159.68, 137.58 -136.82, 17.85 302.67, 104.42 -47.59, -35.87 in-in in 8.4309 Saltbr-in 2.6926 HRD-in -84.2, -49.01 74.75, 3.57 in-in-in SNCiii in-in ActLoopNT-in 2.8626 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -146.69, 130.79 APE9-dihe-in -116.23, 133.53 APE8-dihe-in -52.18, 127.34 APE8-rot-na 331.23 APE67-dihe-in -63.51, -16.76 -51.88, -37.16 APE12-dist-na 12.2102 APE11-dist-na 7.1706 APE10-dist-na 10.3549 APE9-dist-in 5.493 None None None XRAY 2.0 0.212 0.256 A 276.0 270.0 6 31 31 0 [[126, 387]] 1.0 3eqr TYR_TNK2_HUMAN TYR 7.4e-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 3EQRB Q07912 117 390 1038.0 T74:1 Type1.5_Back Inactive DFGin 6.7947 13.431 ABAminus -120.3, 36.38 -155.51, 142.4 -140.09, 20.29 304.07, 98.58 -61.13, -29.69 in-in in 8.5153 Saltbr-in 2.733 HRD-in -83.74, -48.84 74.17, 1.55 in-in-in SNCiii in-in ActLoopNT-in 2.9014 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -74.77, 150.09 APE9-dihe-in -122.65, 150.11 APE8-dihe-in -70.86, 79.63 APE8-rot-na 24.49 APE67-dihe-in -77.33, -9.73 -59.15, -33.0 APE12-dist-na 999.0 APE11-dist-na 9.2365 APE10-dist-na 11.3291 APE9-dist-in 6.6703 None None None XRAY 2.0 0.212 0.256 B 276.0 271.0 3 31 28 3 [[126, 387]] 1.0 3eqr TYR_TNK2_HUMAN TYR 7.4e-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: T74

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% 3EQRB
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 3EQRA Q07912 117 392 1038.0 T74:1 Type1.5_Back Inactive DFGin 6.8667 13.3824 ABAminus -128.87, 39.52 -159.68, 137.58 -136.82, 17.85 302.67, 104.42 -47.59, -35.87 in-in in 8.4309 Saltbr-in 2.6926 HRD-in -84.2, -49.01 74.75, 3.57 in-in-in SNCiii in-in ActLoopNT-in 2.8626 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -146.69, 130.79 APE9-dihe-in -116.23, 133.53 APE8-dihe-in -52.18, 127.34 APE8-rot-na 331.23 APE67-dihe-in -63.51, -16.76 -51.88, -37.16 APE12-dist-na 12.2102 APE11-dist-na 7.1706 APE10-dist-na 10.3549 APE9-dist-in 5.493 None None None XRAY 2.0 0.212 0.256 A 276.0 270.0 6 31 31 0 [[126, 387]] 1.0 3eqr Homo sapiens TYR_TNK2_HUMAN TYR 7.4e-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 3EQRB Q07912 117 390 1038.0 T74:1 Type1.5_Back Inactive DFGin 6.7947 13.431 ABAminus -120.3, 36.38 -155.51, 142.4 -140.09, 20.29 304.07, 98.58 -61.13, -29.69 in-in in 8.5153 Saltbr-in 2.733 HRD-in -83.74, -48.84 74.17, 1.55 in-in-in SNCiii in-in ActLoopNT-in 2.9014 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -74.77, 150.09 APE9-dihe-in -122.65, 150.11 APE8-dihe-in -70.86, 79.63 APE8-rot-na 24.49 APE67-dihe-in -77.33, -9.73 -59.15, -33.0 APE12-dist-na 999.0 APE11-dist-na 9.2365 APE10-dist-na 11.3291 APE9-dist-in 6.6703 None None None XRAY 2.0 0.212 0.256 B 276.0 271.0 3 31 28 3 [[126, 387]] 1.0 3eqr Homo sapiens TYR_TNK2_HUMAN TYR 7.4e-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: T74

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