Ligand: AQW

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% 5OTOA
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 5OTOA P68400 2 328 391.0 AQW:406 Allosteric Active DFGin 7.6629 16.2979 BLAminus -117.74, 178.89 50.37, 81.59 -92.72, 16.81 295.72, 81.62 -63.64, -24.22 in-in in 9.4317 Saltbr-in 2.7854 HRD-in -73.48, -45.95 66.99, 11.49 in-in-in SNCiii in-in ActLoopNT-in 2.9452 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.78, 172.14 APE9-dihe-na 62.18, 167.89 APE8-dihe-in -96.68, 141.79 APE8-rot-in 301.07 APE67-dihe-in -66.52, -17.79 -31.85, -57.09 APE12-dist-in 12.7882 APE11-dist-in 10.5892 APE10-dist-in 6.1814 APE9-dist-in 3.1988 R21S None None XRAY 1.51 0.24 0.253 A 352.0 327.0 0 27 27 0 [[39, 324]] 1.0 5oto 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 5OTOB P68400 4 327 391.0 AQW:403 Allosteric Active DFGin 7.6332 16.5392 BLAminus -116.41, 178.74 49.11, 81.5 -91.63, 17.21 296.93, 80.45 -63.75, -24.28 in-in in 9.5951 Saltbr-in 2.8133 HRD-in -63.99, -48.13 66.48, 12.93 in-in-in SNCiii in-in ActLoopNT-in 2.9444 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.96, 168.16 APE9-dihe-na 64.2, 171.08 APE8-dihe-in -97.24, 140.2 APE8-rot-in 301.61 APE67-dihe-in -66.79, -18.98 -30.15, -56.24 APE12-dist-in 12.6975 APE11-dist-in 10.4593 APE10-dist-in 6.1219 APE9-dist-in 3.2013 R21S None None XRAY 1.51 0.24 0.253 B 352.0 324.0 0 27 27 0 [[39, 324]] 1.0 5oto 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: AQW

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% 5OTOA
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 5OTOA P68400 2 328 391.0 AQW:406 Allosteric Active DFGin 7.6629 16.2979 BLAminus -117.74, 178.89 50.37, 81.59 -92.72, 16.81 295.72, 81.62 -63.64, -24.22 in-in in 9.4317 Saltbr-in 2.7854 HRD-in -73.48, -45.95 66.99, 11.49 in-in-in SNCiii in-in ActLoopNT-in 2.9452 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.78, 172.14 APE9-dihe-na 62.18, 167.89 APE8-dihe-in -96.68, 141.79 APE8-rot-in 301.07 APE67-dihe-in -66.52, -17.79 -31.85, -57.09 APE12-dist-in 12.7882 APE11-dist-in 10.5892 APE10-dist-in 6.1814 APE9-dist-in 3.1988 R21S None None XRAY 1.51 0.24 0.253 A 352.0 327.0 0 27 27 0 [[39, 324]] 1.0 5oto 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 5OTOB P68400 4 327 391.0 AQW:403 Allosteric Active DFGin 7.6332 16.5392 BLAminus -116.41, 178.74 49.11, 81.5 -91.63, 17.21 296.93, 80.45 -63.75, -24.28 in-in in 9.5951 Saltbr-in 2.8133 HRD-in -63.99, -48.13 66.48, 12.93 in-in-in SNCiii in-in ActLoopNT-in 2.9444 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.96, 168.16 APE9-dihe-na 64.2, 171.08 APE8-dihe-in -97.24, 140.2 APE8-rot-in 301.61 APE67-dihe-in -66.79, -18.98 -30.15, -56.24 APE12-dist-in 12.6975 APE11-dist-in 10.4593 APE10-dist-in 6.1219 APE9-dist-in 3.2013 R21S None None XRAY 1.51 0.24 0.253 B 352.0 324.0 0 27 27 0 [[39, 324]] 1.0 5oto 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: AQW

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