Ligand: X59

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8QWYA
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 8QWYA P68400 2 332 391.0 X59:407 Type1 Inactive DFGin 7.3565 16.3922 BLAminus -115.38, -177.42 55.09, 80.58 -95.92, 23.51 294.03, 81.89 -77.7, -18.88 in-in in 9.5593 Saltbr-in 2.8794 HRD-in -77.3, -51.13 74.87, 9.97 in-in-out SNCiio in-out ActLoopNT-in 2.8768 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -134.26, 162.63 APE9-dihe-na 75.58, 155.03 APE8-dihe-in -67.96, 146.54 APE8-rot-out 152.43 APE67-dihe-in -71.57, -15.9 -50.5, -45.86 APE12-dist-in 12.6593 APE11-dist-in 10.8563 APE10-dist-in 6.2083 APE9-dist-in 3.6532 None None None XRAY 2.6 0.213 0.251 A 338.0 331.0 0 27 27 0 [[39, 324]] 1.0 8qwy CMGC_CSNK2A1_HUMAN CMGC 1.4e-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 8QWYB P68400 2 332 391.0 X59:407 Type1 Active DFGin 7.4236 16.2465 BLAminus -115.58, -178.26 56.14, 81.51 -96.37, 26.34 292.99, 82.34 -80.73, -19.79 in-in in 9.4457 Saltbr-in 2.6758 HRD-in -75.38, -52.97 73.99, 12.88 in-in-in SNCiii in-in ActLoopNT-in 2.8735 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.61, 165.65 APE9-dihe-na 69.56, 154.66 APE8-dihe-in -71.26, 150.38 APE8-rot-in 311.28 APE67-dihe-in -71.78, -17.03 -54.17, -41.17 APE12-dist-in 12.4691 APE11-dist-in 10.4971 APE10-dist-in 5.9591 APE9-dist-in 3.3888 None None None XRAY 2.6 0.213 0.251 B 338.0 331.0 0 27 27 0 [[39, 324]] 1.0 8qwy CMGC_CSNK2A1_HUMAN CMGC 1.4e-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: X59

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8QWYA
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 8QWYA P68400 2 332 391.0 X59:407 Type1 Inactive DFGin 7.3565 16.3922 BLAminus -115.38, -177.42 55.09, 80.58 -95.92, 23.51 294.03, 81.89 -77.7, -18.88 in-in in 9.5593 Saltbr-in 2.8794 HRD-in -77.3, -51.13 74.87, 9.97 in-in-out SNCiio in-out ActLoopNT-in 2.8768 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -134.26, 162.63 APE9-dihe-na 75.58, 155.03 APE8-dihe-in -67.96, 146.54 APE8-rot-out 152.43 APE67-dihe-in -71.57, -15.9 -50.5, -45.86 APE12-dist-in 12.6593 APE11-dist-in 10.8563 APE10-dist-in 6.2083 APE9-dist-in 3.6532 None None None XRAY 2.6 0.213 0.251 A 338.0 331.0 0 27 27 0 [[39, 324]] 1.0 8qwy Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.4e-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 8QWYB P68400 2 332 391.0 X59:407 Type1 Active DFGin 7.4236 16.2465 BLAminus -115.58, -178.26 56.14, 81.51 -96.37, 26.34 292.99, 82.34 -80.73, -19.79 in-in in 9.4457 Saltbr-in 2.6758 HRD-in -75.38, -52.97 73.99, 12.88 in-in-in SNCiii in-in ActLoopNT-in 2.8735 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.61, 165.65 APE9-dihe-na 69.56, 154.66 APE8-dihe-in -71.26, 150.38 APE8-rot-in 311.28 APE67-dihe-in -71.78, -17.03 -54.17, -41.17 APE12-dist-in 12.4691 APE11-dist-in 10.4971 APE10-dist-in 5.9591 APE9-dist-in 3.3888 None None None XRAY 2.6 0.213 0.251 B 338.0 331.0 0 27 27 0 [[39, 324]] 1.0 8qwy Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.4e-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: X59

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