Ligand: 54R

Total number of chains: 4
Active chains: 4
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 5CTPA

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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 5CTPA P68400 4 327 391.0 54R:402 Allosteric Active DFGin 7.497 16.585 BLAminus -109.38, 179.59 51.92, 77.76 -90.48, 19.19 295.98, 78.28 -64.53, -25.05 in-in in 9.607 Saltbr-in 2.809 HRD-in -68.3, -43.82 62.71, 15.17 in-in-in SNCiii in-in ActLoopNT-in 2.97 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.18, 171.55 APE9-dihe-na 63.97, 165.68 APE8-dihe-in -92.05, 144.98 APE8-rot-in 302.43 APE67-dihe-in -64.2, -22.87 -33.85, -54.77 APE12-dist-in 12.508 APE11-dist-in 10.215 APE10-dist-in 6.0 APE9-dist-in 3.135 R21S None None XRAY 2.033 0.185 0.199 A 352 324 0 0 0 0 [[39, 324]] 1.0 5ctp CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.4 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 5CTPB P68400 3 329 391.0 54R:404 Allosteric Active DFGin 7.535 16.323 BLAminus -118.32, -178.13 52.09, 76.85 -90.63, 19.19 295.68, 79.26 -65.29, -23.88 in-in in 9.426 Saltbr-in 2.771 HRD-in -74.07, -45.52 64.72, 11.77 in-in-in SNCiii in-in ActLoopNT-in 2.966 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.08, 170.17 APE9-dihe-na 64.45, 166.88 APE8-dihe-in -92.97, 145.68 APE8-rot-in 303.8 APE67-dihe-in -64.4, -23.34 -34.77, -53.79 APE12-dist-in 12.561 APE11-dist-in 10.248 APE10-dist-in 6.061 APE9-dist-in 3.26 R21S None None XRAY 2.033 0.185 0.199 B 352 327 0 0 0 0 [[39, 324]] 1.0 5ctp CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.4 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 5CU0A P68400 2 328 391.0 54R:401,54R:402,54G:403 Allosteric,Allosteric,Type1 Active DFGin 7.474 16.33 BLAminus -108.17, 179.26 48.97, 78.44 -91.09, 19.74 296.33, 78.99 -64.41, -23.32 in-in in 9.491 Saltbr-in 2.665 HRD-in -71.9, -43.67 60.96, 17.7 in-in-in SNCiii in-in ActLoopNT-in 2.98 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.82, 163.88 APE9-dihe-na 66.04, 164.8 APE8-dihe-in -91.15, 141.16 APE8-rot-in 299.25 APE67-dihe-in -65.84, -25.23 -31.96, -52.91 APE12-dist-in 12.592 APE11-dist-in 10.152 APE10-dist-in 6.04 APE9-dist-in 3.308 R21S None None XRAY 2.18 0.206 0.236 A 352 327 0 0 0 0 [[39, 324]] 1.0 5cu0 CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.4 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 5CU0B P68400 4 328 391.0 54R:401,54R:402,54G:403 Allosteric,Allosteric,Type1 Active DFGin 7.475 16.485 BLAminus -107.16, 178.28 49.21, 76.61 -87.02, 19.81 295.51, 81.17 -66.45, -22.95 in-in in 9.656 Saltbr-in 2.711 HRD-in -69.69, -44.08 61.46, 15.8 in-in-in SNCiii in-in ActLoopNT-in 2.979 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.17, 165.97 APE9-dihe-na 68.44, 158.46 APE8-dihe-in -87.49, 141.33 APE8-rot-in 294.87 APE67-dihe-in -70.65, -23.28 -32.83, -46.44 APE12-dist-in 12.493 APE11-dist-in 10.149 APE10-dist-in 5.928 APE9-dist-in 3.311 R21S None None XRAY 2.18 0.206 0.236 B 352 325 0 0 0 0 [[39, 324]] 1.0 5cu0 CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.4 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha

Ligand: 54R

Total number of chains: 4
Active chains: 4
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 5CTPA

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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 5CTPA P68400 4 327 391.0 54R:402 Allosteric Active DFGin 7.497 16.585 BLAminus -109.38, 179.59 51.92, 77.76 -90.48, 19.19 295.98, 78.28 -64.53, -25.05 in-in in 9.607 Saltbr-in 2.809 HRD-in -68.3, -43.82 62.71, 15.17 in-in-in SNCiii in-in ActLoopNT-in 2.97 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.18, 171.55 APE9-dihe-na 63.97, 165.68 APE8-dihe-in -92.05, 144.98 APE8-rot-in 302.43 APE67-dihe-in -64.2, -22.87 -33.85, -54.77 APE12-dist-in 12.508 APE11-dist-in 10.215 APE10-dist-in 6.0 APE9-dist-in 3.135 R21S None None XRAY 2.033 0.185 0.199 A 352 324 0 0 0 0 [[39, 324]] 1.0 5ctp Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.4 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 5CTPB P68400 3 329 391.0 54R:404 Allosteric Active DFGin 7.535 16.323 BLAminus -118.32, -178.13 52.09, 76.85 -90.63, 19.19 295.68, 79.26 -65.29, -23.88 in-in in 9.426 Saltbr-in 2.771 HRD-in -74.07, -45.52 64.72, 11.77 in-in-in SNCiii in-in ActLoopNT-in 2.966 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.08, 170.17 APE9-dihe-na 64.45, 166.88 APE8-dihe-in -92.97, 145.68 APE8-rot-in 303.8 APE67-dihe-in -64.4, -23.34 -34.77, -53.79 APE12-dist-in 12.561 APE11-dist-in 10.248 APE10-dist-in 6.061 APE9-dist-in 3.26 R21S None None XRAY 2.033 0.185 0.199 B 352 327 0 0 0 0 [[39, 324]] 1.0 5ctp Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.4 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 5CU0A P68400 2 328 391.0 54R:401,54R:402,54G:403 Allosteric,Allosteric,Type1 Active DFGin 7.474 16.33 BLAminus -108.17, 179.26 48.97, 78.44 -91.09, 19.74 296.33, 78.99 -64.41, -23.32 in-in in 9.491 Saltbr-in 2.665 HRD-in -71.9, -43.67 60.96, 17.7 in-in-in SNCiii in-in ActLoopNT-in 2.98 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.82, 163.88 APE9-dihe-na 66.04, 164.8 APE8-dihe-in -91.15, 141.16 APE8-rot-in 299.25 APE67-dihe-in -65.84, -25.23 -31.96, -52.91 APE12-dist-in 12.592 APE11-dist-in 10.152 APE10-dist-in 6.04 APE9-dist-in 3.308 R21S None None XRAY 2.18 0.206 0.236 A 352 327 0 0 0 0 [[39, 324]] 1.0 5cu0 Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.4 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 5CU0B P68400 4 328 391.0 54R:401,54R:402,54G:403 Allosteric,Allosteric,Type1 Active DFGin 7.475 16.485 BLAminus -107.16, 178.28 49.21, 76.61 -87.02, 19.81 295.51, 81.17 -66.45, -22.95 in-in in 9.656 Saltbr-in 2.711 HRD-in -69.69, -44.08 61.46, 15.8 in-in-in SNCiii in-in ActLoopNT-in 2.979 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.17, 165.97 APE9-dihe-na 68.44, 158.46 APE8-dihe-in -87.49, 141.33 APE8-rot-in 294.87 APE67-dihe-in -70.65, -23.28 -32.83, -46.44 APE12-dist-in 12.493 APE11-dist-in 10.149 APE10-dist-in 5.928 APE9-dist-in 3.311 R21S None None XRAY 2.18 0.206 0.236 B 352 325 0 0 0 0 [[39, 324]] 1.0 5cu0 Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.4 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha

Ligand: 54R

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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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