Ligand: AQT

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 5OTLB
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
CMGC CSNK2A1 CSK21_HUMAN 5OTLA P68400 4 327 391.0 AQT:403 Allosteric Active DFGin 7.4939 16.1944 BLAminus -114.9, -179.38 50.28, 80.01 -90.49, 18.31 295.49, 79.22 -65.19, -23.41 in-in in 9.3731 Saltbr-in 2.7324 HRD-in -72.87, -46.36 67.44, 12.73 in-in-in SNCiii in-in ActLoopNT-in 2.9224 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.61, 170.26 APE9-dihe-na 65.5, 171.28 APE8-dihe-in -98.95, 139.63 APE8-rot-in 303.84 APE67-dihe-in -64.99, -21.92 -27.91, -57.24 APE12-dist-in 12.5184 APE11-dist-in 10.3284 APE10-dist-in 5.9521 APE9-dist-in 3.0612 R21S None None XRAY 1.57 0.226 0.244 A 352.0 320.0 4 27 27 0 [[39, 324]] 1.0 5otl 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 5OTLB P68400 3 328 391.0 AQT:403 Allosteric Active DFGin 7.5517 15.9743 BLAminus -116.84, -178.57 49.38, 79.21 -90.48, 20.43 295.06, 80.8 -64.05, -25.25 in-in in 9.222 Saltbr-in 2.6984 HRD-in -73.8, -48.78 69.28, 13.33 in-in-in SNCiii in-in ActLoopNT-in 2.9358 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.91, 178.08 APE9-dihe-na 57.24, -177.87 APE8-dihe-in -112.5, 134.23 APE8-rot-in 306.78 APE67-dihe-in -61.78, -23.45 -22.73, -60.78 APE12-dist-in 12.6349 APE11-dist-in 10.469 APE10-dist-in 6.1373 APE9-dist-in 3.0538 R21S None None XRAY 1.57 0.226 0.244 B 352.0 326.0 0 27 27 0 [[39, 324]] 1.0 5otl 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: AQT

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 5OTLB
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
CMGC CSNK2A1 CSK21_HUMAN 5OTLA P68400 4 327 391.0 AQT:403 Allosteric Active DFGin 7.4939 16.1944 BLAminus -114.9, -179.38 50.28, 80.01 -90.49, 18.31 295.49, 79.22 -65.19, -23.41 in-in in 9.3731 Saltbr-in 2.7324 HRD-in -72.87, -46.36 67.44, 12.73 in-in-in SNCiii in-in ActLoopNT-in 2.9224 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.61, 170.26 APE9-dihe-na 65.5, 171.28 APE8-dihe-in -98.95, 139.63 APE8-rot-in 303.84 APE67-dihe-in -64.99, -21.92 -27.91, -57.24 APE12-dist-in 12.5184 APE11-dist-in 10.3284 APE10-dist-in 5.9521 APE9-dist-in 3.0612 R21S None None XRAY 1.57 0.226 0.244 A 352.0 320.0 4 27 27 0 [[39, 324]] 1.0 5otl 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 5OTLB P68400 3 328 391.0 AQT:403 Allosteric Active DFGin 7.5517 15.9743 BLAminus -116.84, -178.57 49.38, 79.21 -90.48, 20.43 295.06, 80.8 -64.05, -25.25 in-in in 9.222 Saltbr-in 2.6984 HRD-in -73.8, -48.78 69.28, 13.33 in-in-in SNCiii in-in ActLoopNT-in 2.9358 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.91, 178.08 APE9-dihe-na 57.24, -177.87 APE8-dihe-in -112.5, 134.23 APE8-rot-in 306.78 APE67-dihe-in -61.78, -23.45 -22.73, -60.78 APE12-dist-in 12.6349 APE11-dist-in 10.469 APE10-dist-in 6.1373 APE9-dist-in 3.0538 R21S None None XRAY 1.57 0.226 0.244 B 352.0 326.0 0 27 27 0 [[39, 324]] 1.0 5otl 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: AQT

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