Ligand: A1IVR

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 9HKSA
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 9HKSA P68400 2 331 391.0 A1IVR:405,A1IVR:406 Allosteric,Type1 Inactive DFGin 7.328 16.3839 BLAminus -117.06, -173.0 41.31, 84.45 -92.62, 12.06 296.33, 83.31 -64.69, -16.43 in-in in 9.7649 Saltbr-in 2.6364 HRD-in -79.52, -46.64 75.05, 2.64 in-in-out SNCiio in-out ActLoopNT-in 2.7058 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -129.53, 168.14 APE9-dihe-na 65.12, 165.31 APE8-dihe-in -79.0, 148.24 APE8-rot-out 152.58 APE67-dihe-in -67.2, -12.61 -41.37, -53.77 APE12-dist-in 12.6578 APE11-dist-in 10.7286 APE10-dist-in 6.1407 APE9-dist-in 3.4455 None None None XRAY 2.4 0.213 0.262 A 359.0 330.0 0 27 27 0 [[39, 324]] 1.0 9hks CMGC_CSNK2A1_HUMAN CMGC 1.7e-69 240.3 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 9HKSB P68400 3 332 391.0 A1IVR:404,A1IVR:405 Type1,Allosteric Inactive DFGin 7.3693 16.1118 BLAminus -116.02, -173.74 50.26, 74.55 -87.59, 14.23 295.12, 79.5 -65.25, -11.85 in-in in 9.2366 Saltbr-in 3.1115 HRD-in -73.38, -45.84 67.9, 13.07 in-in-out SNCiio in-out ActLoopNT-in 2.8833 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -127.5, 168.48 APE9-dihe-na 65.99, 160.04 APE8-dihe-in -74.64, 153.61 APE8-rot-out 164.97 APE67-dihe-in -65.02, -5.66 -58.19, -50.74 APE12-dist-in 12.692 APE11-dist-in 10.9243 APE10-dist-in 6.2265 APE9-dist-in 3.4297 None None None XRAY 2.4 0.213 0.262 B 359.0 327.0 3 27 27 0 [[39, 324]] 1.0 9hks CMGC_CSNK2A1_HUMAN CMGC 1.7e-69 240.3 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: A1IVR

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 9HKSA
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 9HKSA P68400 2 331 391.0 A1IVR:405,A1IVR:406 Allosteric,Type1 Inactive DFGin 7.328 16.3839 BLAminus -117.06, -173.0 41.31, 84.45 -92.62, 12.06 296.33, 83.31 -64.69, -16.43 in-in in 9.7649 Saltbr-in 2.6364 HRD-in -79.52, -46.64 75.05, 2.64 in-in-out SNCiio in-out ActLoopNT-in 2.7058 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -129.53, 168.14 APE9-dihe-na 65.12, 165.31 APE8-dihe-in -79.0, 148.24 APE8-rot-out 152.58 APE67-dihe-in -67.2, -12.61 -41.37, -53.77 APE12-dist-in 12.6578 APE11-dist-in 10.7286 APE10-dist-in 6.1407 APE9-dist-in 3.4455 None None None XRAY 2.4 0.213 0.262 A 359.0 330.0 0 27 27 0 [[39, 324]] 1.0 9hks Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.7e-69 240.3 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 9HKSB P68400 3 332 391.0 A1IVR:404,A1IVR:405 Type1,Allosteric Inactive DFGin 7.3693 16.1118 BLAminus -116.02, -173.74 50.26, 74.55 -87.59, 14.23 295.12, 79.5 -65.25, -11.85 in-in in 9.2366 Saltbr-in 3.1115 HRD-in -73.38, -45.84 67.9, 13.07 in-in-out SNCiio in-out ActLoopNT-in 2.8833 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -127.5, 168.48 APE9-dihe-na 65.99, 160.04 APE8-dihe-in -74.64, 153.61 APE8-rot-out 164.97 APE67-dihe-in -65.02, -5.66 -58.19, -50.74 APE12-dist-in 12.692 APE11-dist-in 10.9243 APE10-dist-in 6.2265 APE9-dist-in 3.4297 None None None XRAY 2.4 0.213 0.262 B 359.0 327.0 3 27 27 0 [[39, 324]] 1.0 9hks Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.7e-69 240.3 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: A1IVR

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