Ligand: AQ8

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 5OTHA
DFGin None 1 33.3% 9BRIA
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 GRK5 GRK5_HUMAN 9BRIA P34947 25 542 590.0 A1AQ8:601 Type1 Inactive DFGin 5.7901 12.7141 None -118.56, -79.42 -70.93, 91.99 -85.99, 18.72 271.5, 67.77 -66.54, -25.08 in-in in 8.8021 Saltbr-in 2.6488 HRD-in -85.77, -46.41 67.52, 4.46 in-in-in SNCiii in-in ActLoopNT-in 3.1673 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -151.68, 145.74 APE9-dihe-na 145.19, -146.92 APE8-dihe-in -122.56, 141.77 APE8-rot-in 306.39 APE67-dihe-inflip 92.75, -9.14 -56.37, 130.7 APE12-dist-in 10.1331 APE11-dist-in 12.2149 APE10-dist-in 6.5714 APE9-dist-in 4.2246 D311N None None XRAY 2.9 0.217 0.26 A 598.0 503.0 0 27 27 0 [[186, 448]] 1.0 9bri 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
CMGC CSNK2A1 CSK21_HUMAN 5OTHA P68400 3 328 391.0 AQ8:406 Allosteric Active DFGin 7.532 15.9344 BLAminus -115.28, -179.28 51.21, 78.82 -91.31, 17.98 294.06, 80.47 -67.3, -20.15 in-in in 9.295 Saltbr-in 2.745 HRD-in -72.97, -48.3 67.82, 13.53 in-in-in SNCiii in-in ActLoopNT-in 2.94 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -124.85, 179.22 APE9-dihe-na 60.56, 178.58 APE8-dihe-in -113.21, 135.32 APE8-rot-in 301.97 APE67-dihe-in -64.41, -20.93 -27.51, -56.91 APE12-dist-in 12.659 APE11-dist-in 10.5465 APE10-dist-in 6.118 APE9-dist-in 3.0915 R21S None None XRAY 1.69 0.241 0.265 A 352.0 326.0 0 27 27 0 [[39, 324]] 1.0 5oth CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.4 1.0 301.0 301.0 174 175 176 178 180 68 81 85 153 155 154 156.0 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 5OTHB P68400 4 327 391.0 AQ8:403 Allosteric Active DFGin 7.5219 16.107 BLAminus -116.19, -179.74 49.36, 79.7 -91.03, 16.89 294.73, 79.47 -65.7, -20.83 in-in in 9.378 Saltbr-in 2.7346 HRD-in -68.08, -47.5 67.3, 12.26 in-in-in SNCiii in-in ActLoopNT-in 2.8483 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -135.1, 172.72 APE9-dihe-na 65.06, 174.32 APE8-dihe-in -103.75, 136.61 APE8-rot-in 310.97 APE67-dihe-in -64.59, -22.13 -24.15, -58.24 APE12-dist-in 12.5329 APE11-dist-in 10.3121 APE10-dist-in 5.9502 APE9-dist-in 3.1484 R21S None None XRAY 1.69 0.241 0.265 B 352.0 324.0 0 27 27 0 [[39, 324]] 1.0 5oth CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.4 1.0 301.0 301.0 174 175 176 178 180 68 81 85 153 155 154 156.0 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha

Ligand: AQ8

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 5OTHA
DFGin None 1 33.3% 9BRIA
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 GRK5 GRK5_HUMAN 9BRIA P34947 25 542 590.0 A1AQ8:601 Type1 Inactive DFGin 5.7901 12.7141 None -118.56, -79.42 -70.93, 91.99 -85.99, 18.72 271.5, 67.77 -66.54, -25.08 in-in in 8.8021 Saltbr-in 2.6488 HRD-in -85.77, -46.41 67.52, 4.46 in-in-in SNCiii in-in ActLoopNT-in 3.1673 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -151.68, 145.74 APE9-dihe-na 145.19, -146.92 APE8-dihe-in -122.56, 141.77 APE8-rot-in 306.39 APE67-dihe-inflip 92.75, -9.14 -56.37, 130.7 APE12-dist-in 10.1331 APE11-dist-in 12.2149 APE10-dist-in 6.5714 APE9-dist-in 4.2246 D311N None None XRAY 2.9 0.217 0.26 A 598.0 503.0 0 27 27 0 [[186, 448]] 1.0 9bri 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
CMGC CSNK2A1 CSK21_HUMAN 5OTHA P68400 3 328 391.0 AQ8:406 Allosteric Active DFGin 7.532 15.9344 BLAminus -115.28, -179.28 51.21, 78.82 -91.31, 17.98 294.06, 80.47 -67.3, -20.15 in-in in 9.295 Saltbr-in 2.745 HRD-in -72.97, -48.3 67.82, 13.53 in-in-in SNCiii in-in ActLoopNT-in 2.94 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -124.85, 179.22 APE9-dihe-na 60.56, 178.58 APE8-dihe-in -113.21, 135.32 APE8-rot-in 301.97 APE67-dihe-in -64.41, -20.93 -27.51, -56.91 APE12-dist-in 12.659 APE11-dist-in 10.5465 APE10-dist-in 6.118 APE9-dist-in 3.0915 R21S None None XRAY 1.69 0.241 0.265 A 352.0 326.0 0 27 27 0 [[39, 324]] 1.0 5oth Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.4 1.0 301.0 301.0 174 175 176 178 180 68 81 85 153 155 154 156.0 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 5OTHB P68400 4 327 391.0 AQ8:403 Allosteric Active DFGin 7.5219 16.107 BLAminus -116.19, -179.74 49.36, 79.7 -91.03, 16.89 294.73, 79.47 -65.7, -20.83 in-in in 9.378 Saltbr-in 2.7346 HRD-in -68.08, -47.5 67.3, 12.26 in-in-in SNCiii in-in ActLoopNT-in 2.8483 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -135.1, 172.72 APE9-dihe-na 65.06, 174.32 APE8-dihe-in -103.75, 136.61 APE8-rot-in 310.97 APE67-dihe-in -64.59, -22.13 -24.15, -58.24 APE12-dist-in 12.5329 APE11-dist-in 10.3121 APE10-dist-in 5.9502 APE9-dist-in 3.1484 R21S None None XRAY 1.69 0.241 0.265 B 352.0 324.0 0 27 27 0 [[39, 324]] 1.0 5oth Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.4 1.0 301.0 301.0 174 175 176 178 180 68 81 85 153 155 154 156.0 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha

Ligand: AQ8

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