Ligand: AQ5

Total number of chains: 2
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 5OTFA
DFGin None 1 50.0% 9BRFA
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 CDC42BPB MRCKB_HUMAN 5OTFA Q9Y5S2 2 417 1711.0 AQ5:60504 Type1 Active DFGin 6.4743 13.8364 BLAminus -138.71, 166.8 56.15, 77.62 -87.94, 13.12 305.59, 108.27 -63.54, -12.28 in-in in 8.9661 Saltbr-in 2.6332 HRD-in -69.74, -49.73 69.82, 11.73 in-in-in SNCiii in-in ActLoopNT-in 2.9301 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -144.82, 174.96 APE9-dihe-na 90.86, 165.77 APE8-dihe-in -78.76, 136.08 APE8-rot-in 311.34 APE67-dihe-in -61.08, -29.98 -51.0, -40.22 APE12-dist-in 10.5006 APE11-dist-in 10.8893 APE10-dist-in 5.7735 APE9-dist-in 4.0027 None None None XRAY 2.0 0.201 0.227 A 419.0 408.0 0 29 29 0 [[76, 342]] 1.0 5otf AGC_CDC42BPB_HUMAN AGC 6.5e-96 326.4 1.0 260.0 260.0 217 218 219 221 223 105 124 128 197 199 198 200.0 263 246 241 240 239 238 237 236 235 154 Serine/threonine-protein kinase MRCK beta
AGC GRK5 GRK5_HUMAN 9BRFA P34947 25 542 590.0 A1AQ5:601 Type1 Inactive DFGin 6.2131 12.8852 None -116.13, -75.08 -76.38, 97.42 -93.08, 20.96 275.91, 78.29 -67.65, -17.42 in-in in 9.0758 Saltbr-in 2.4746 HRD-in -89.29, -49.76 68.56, 5.65 in-in-in SNCiii in-in ActLoopNT-in 3.0583 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.67, 152.28 APE9-dihe-na 135.63, -159.61 APE8-dihe-in -113.28, 137.14 APE8-rot-in 304.0 APE67-dihe-inflip 86.51, -10.19 -50.9, 134.51 APE12-dist-in 9.9844 APE11-dist-in 12.0653 APE10-dist-in 6.2254 APE9-dist-in 4.1192 D311N None None XRAY 2.84 0.224 0.277 A 598.0 503.0 0 27 27 0 [[186, 448]] 1.0 9brf AGC_GRK5_HUMAN AGC 7.6e-83 283.7 1.0 260.0 260.0 328 329 330 332 334 215 234 238 308 310 309 311.0 367 355 350 349 348 347 346 345 344 264 G protein-coupled receptor kinase 5

Ligand: AQ5

Total number of chains: 2
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 5OTFA
DFGin None 1 50.0% 9BRFA
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 CDC42BPB MRCKB_HUMAN 5OTFA Q9Y5S2 2 417 1711.0 AQ5:60504 Type1 Active DFGin 6.4743 13.8364 BLAminus -138.71, 166.8 56.15, 77.62 -87.94, 13.12 305.59, 108.27 -63.54, -12.28 in-in in 8.9661 Saltbr-in 2.6332 HRD-in -69.74, -49.73 69.82, 11.73 in-in-in SNCiii in-in ActLoopNT-in 2.9301 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -144.82, 174.96 APE9-dihe-na 90.86, 165.77 APE8-dihe-in -78.76, 136.08 APE8-rot-in 311.34 APE67-dihe-in -61.08, -29.98 -51.0, -40.22 APE12-dist-in 10.5006 APE11-dist-in 10.8893 APE10-dist-in 5.7735 APE9-dist-in 4.0027 None None None XRAY 2.0 0.201 0.227 A 419.0 408.0 0 29 29 0 [[76, 342]] 1.0 5otf Homo sapiens AGC_CDC42BPB_HUMAN AGC 6.5e-96 326.4 1.0 260.0 260.0 217 218 219 221 223 105 124 128 197 199 198 200.0 263 246 241 240 239 238 237 236 235 154 Serine/threonine-protein kinase MRCK beta
AGC GRK5 GRK5_HUMAN 9BRFA P34947 25 542 590.0 A1AQ5:601 Type1 Inactive DFGin 6.2131 12.8852 None -116.13, -75.08 -76.38, 97.42 -93.08, 20.96 275.91, 78.29 -67.65, -17.42 in-in in 9.0758 Saltbr-in 2.4746 HRD-in -89.29, -49.76 68.56, 5.65 in-in-in SNCiii in-in ActLoopNT-in 3.0583 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.67, 152.28 APE9-dihe-na 135.63, -159.61 APE8-dihe-in -113.28, 137.14 APE8-rot-in 304.0 APE67-dihe-inflip 86.51, -10.19 -50.9, 134.51 APE12-dist-in 9.9844 APE11-dist-in 12.0653 APE10-dist-in 6.2254 APE9-dist-in 4.1192 D311N None None XRAY 2.84 0.224 0.277 A 598.0 503.0 0 27 27 0 [[186, 448]] 1.0 9brf Homo sapiens AGC_GRK5_HUMAN AGC 7.6e-83 283.7 1.0 260.0 260.0 328 329 330 332 334 215 234 238 308 310 309 311.0 367 355 350 349 348 347 346 345 344 264 G protein-coupled receptor kinase 5

Ligand: AQ5

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