Ligand: JRJ

Total number of chains: 3
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 5CQUA
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 5CQUA P68400 2 329 391.0 JRJ:401 Type1 Inactive DFGin 7.4888 16.3701 BLAminus -118.94, -176.31 56.84, 75.81 -99.61, 34.21 300.36, 78.03 -79.97, -18.77 in-in in 9.2902 Saltbr-in 3.2429 HRD-in -69.2, -54.92 64.95, 24.91 in-in-out SNCiio in-out ActLoopNT-in 2.6021 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -128.19, 166.05 APE9-dihe-na 63.2, 166.21 APE8-dihe-in -71.86, 152.01 APE8-rot-out 173.61 APE67-dihe-in -69.58, -14.45 -51.66, -46.81 APE12-dist-in 12.6936 APE11-dist-in 10.3489 APE10-dist-in 6.1073 APE9-dist-in 3.2991 None None None XRAY 2.35 0.199 0.251 A 335.0 328.0 0 27 27 0 [[39, 324]] 1.0 5cqu CMGC_CSNK2A1_HUMAN CMGC 1.3e-69 240.6 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 5CQWA P68400 2 332 391.0 JRJ:401 Type1 Inactive DFGin 7.5033 16.4501 BLAminus -114.04, -173.95 53.36, 80.65 -102.41, 25.0 296.63, 80.0 -71.14, -19.24 in-out in 9.7432 Saltbr-out 5.2857 HRD-in -81.27, -44.39 63.4, 17.24 out-in-in SNCoii in-in ActLoopNT-in 2.9499 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.37, 177.55 APE9-dihe-na 60.11, 174.73 APE8-dihe-in -91.23, 153.19 APE8-rot-in 291.67 APE67-dihe-in -72.1, -9.38 -51.81, -46.59 APE12-dist-in 12.7446 APE11-dist-in 10.5774 APE10-dist-in 6.0754 APE9-dist-in 3.242 None None None XRAY 2.65 0.185 0.229 A 335.0 331.0 0 27 27 0 [[39, 324]] 1.0 5cqw CMGC_CSNK2A1_HUMAN CMGC 1.3e-69 240.6 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 5CQWB P68400 2 332 391.0 JRJ:401 Type1 Active DFGin 7.5008 16.6325 BLAminus -114.1, -173.51 53.46, 79.61 -101.81, 24.64 296.19, 79.18 -71.0, -18.67 in-in in 9.8218 Saltbr-in 3.2399 HRD-in -82.1, -45.18 64.23, 16.75 in-in-in SNCiii in-in ActLoopNT-in 2.8933 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.8, 179.18 APE9-dihe-na 61.06, 175.37 APE8-dihe-in -90.04, 154.04 APE8-rot-in 291.88 APE67-dihe-in -71.89, -9.16 -51.98, -48.69 APE12-dist-in 12.8445 APE11-dist-in 10.8651 APE10-dist-in 6.1772 APE9-dist-in 3.3245 None None None XRAY 2.65 0.185 0.229 B 335.0 331.0 0 27 27 0 [[39, 324]] 1.0 5cqw CMGC_CSNK2A1_HUMAN CMGC 1.3e-69 240.6 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: JRJ

Total number of chains: 3
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 5CQUA
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 5CQUA P68400 2 329 391.0 JRJ:401 Type1 Inactive DFGin 7.4888 16.3701 BLAminus -118.94, -176.31 56.84, 75.81 -99.61, 34.21 300.36, 78.03 -79.97, -18.77 in-in in 9.2902 Saltbr-in 3.2429 HRD-in -69.2, -54.92 64.95, 24.91 in-in-out SNCiio in-out ActLoopNT-in 2.6021 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -128.19, 166.05 APE9-dihe-na 63.2, 166.21 APE8-dihe-in -71.86, 152.01 APE8-rot-out 173.61 APE67-dihe-in -69.58, -14.45 -51.66, -46.81 APE12-dist-in 12.6936 APE11-dist-in 10.3489 APE10-dist-in 6.1073 APE9-dist-in 3.2991 None None None XRAY 2.35 0.199 0.251 A 335.0 328.0 0 27 27 0 [[39, 324]] 1.0 5cqu Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.3e-69 240.6 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 5CQWA P68400 2 332 391.0 JRJ:401 Type1 Inactive DFGin 7.5033 16.4501 BLAminus -114.04, -173.95 53.36, 80.65 -102.41, 25.0 296.63, 80.0 -71.14, -19.24 in-out in 9.7432 Saltbr-out 5.2857 HRD-in -81.27, -44.39 63.4, 17.24 out-in-in SNCoii in-in ActLoopNT-in 2.9499 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.37, 177.55 APE9-dihe-na 60.11, 174.73 APE8-dihe-in -91.23, 153.19 APE8-rot-in 291.67 APE67-dihe-in -72.1, -9.38 -51.81, -46.59 APE12-dist-in 12.7446 APE11-dist-in 10.5774 APE10-dist-in 6.0754 APE9-dist-in 3.242 None None None XRAY 2.65 0.185 0.229 A 335.0 331.0 0 27 27 0 [[39, 324]] 1.0 5cqw Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.3e-69 240.6 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 5CQWB P68400 2 332 391.0 JRJ:401 Type1 Active DFGin 7.5008 16.6325 BLAminus -114.1, -173.51 53.46, 79.61 -101.81, 24.64 296.19, 79.18 -71.0, -18.67 in-in in 9.8218 Saltbr-in 3.2399 HRD-in -82.1, -45.18 64.23, 16.75 in-in-in SNCiii in-in ActLoopNT-in 2.8933 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.8, 179.18 APE9-dihe-na 61.06, 175.37 APE8-dihe-in -90.04, 154.04 APE8-rot-in 291.88 APE67-dihe-in -71.89, -9.16 -51.98, -48.69 APE12-dist-in 12.8445 APE11-dist-in 10.8651 APE10-dist-in 6.1772 APE9-dist-in 3.3245 None None None XRAY 2.65 0.185 0.229 B 335.0 331.0 0 27 27 0 [[39, 324]] 1.0 5cqw Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.3e-69 240.6 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: JRJ

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