Ligand: E5M

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% 6BRUD
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
CK1 VRK1 VRK1_HUMAN 6BRUB Q99986 23 341 396.0 E5M:401 Type1.5_Back Inactive DFGin 8.357 14.748 BLAminus -116.05, 174.64 73.11, 90.37 -112.13, 20.06 298.39, 84.27 -63.74, -27.85 in-in in 8.077 Saltbr-in 2.728 HRD-in -90.47, -48.07 75.98, 2.3 in-in-out SNCiio in-out ActLoopNT-in 2.89 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooi APE10-dihe-na -62.64, 163.66 APE9-dihe-na 89.79, -163.11 APE8-dihe-in -97.38, 120.62 APE8-rot-in 298.71 APE67-dihe-in -69.4, -24.42 -55.79, -40.6 APE12-dist-out 15.599 APE11-dist-out 14.298 APE10-dist-out 8.575 APE9-dist-in 4.024 K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A None None XRAY 1.8 0.196 0.214 B 364 301 18 0 0 0 [[37, 326]] 1.0 6bru CK1_VRK1_HUMAN CK1 8.4e-105 355.8 1 261 261 196 197 198 200 202 71 83 87 174 176 175 177 243 231 226 225 224 223 222 221 220 132 Serine/threonine-protein kinase VRK1
CK1 VRK1 VRK1_HUMAN 6BRUD Q99986 22 341 396.0 E5M:401 Type1.5_Back Inactive DFGin 8.236 14.624 BLAminus -117.89, 173.75 70.48, 89.16 -108.83, 20.66 296.08, 83.19 -48.29, -34.49 in-in in 8.03 Saltbr-in 2.877 HRD-in -89.48, -48.25 74.72, 2.08 in-in-out SNCiio in-out ActLoopNT-in 2.894 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oioi APE10-dihe-na -62.24, 162.75 APE9-dihe-na 91.76, -163.66 APE8-dihe-in -96.35, 120.51 APE8-rot-in 298.54 APE67-dihe-in -70.22, -23.54 -55.93, -40.24 APE12-dist-out 15.206 APE11-dist-in 13.846 APE10-dist-out 8.105 APE9-dist-in 4.058 K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A None None XRAY 1.8 0.196 0.214 D 364 311 9 0 0 0 [[37, 326]] 1.0 6bru CK1_VRK1_HUMAN CK1 8.4e-105 355.8 1 261 261 196 197 198 200 202 71 83 87 174 176 175 177 243 231 226 225 224 223 222 221 220 132 Serine/threonine-protein kinase VRK1

Ligand: E5M

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% 6BRUD
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
CK1 VRK1 VRK1_HUMAN 6BRUB Q99986 23 341 396.0 E5M:401 Type1.5_Back Inactive DFGin 8.357 14.748 BLAminus -116.05, 174.64 73.11, 90.37 -112.13, 20.06 298.39, 84.27 -63.74, -27.85 in-in in 8.077 Saltbr-in 2.728 HRD-in -90.47, -48.07 75.98, 2.3 in-in-out SNCiio in-out ActLoopNT-in 2.89 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooi APE10-dihe-na -62.64, 163.66 APE9-dihe-na 89.79, -163.11 APE8-dihe-in -97.38, 120.62 APE8-rot-in 298.71 APE67-dihe-in -69.4, -24.42 -55.79, -40.6 APE12-dist-out 15.599 APE11-dist-out 14.298 APE10-dist-out 8.575 APE9-dist-in 4.024 K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A None None XRAY 1.8 0.196 0.214 B 364 301 18 0 0 0 [[37, 326]] 1.0 6bru Homo sapiens CK1_VRK1_HUMAN CK1 8.4e-105 355.8 1 261 261 196 197 198 200 202 71 83 87 174 176 175 177 243 231 226 225 224 223 222 221 220 132 Serine/threonine-protein kinase VRK1
CK1 VRK1 VRK1_HUMAN 6BRUD Q99986 22 341 396.0 E5M:401 Type1.5_Back Inactive DFGin 8.236 14.624 BLAminus -117.89, 173.75 70.48, 89.16 -108.83, 20.66 296.08, 83.19 -48.29, -34.49 in-in in 8.03 Saltbr-in 2.877 HRD-in -89.48, -48.25 74.72, 2.08 in-in-out SNCiio in-out ActLoopNT-in 2.894 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oioi APE10-dihe-na -62.24, 162.75 APE9-dihe-na 91.76, -163.66 APE8-dihe-in -96.35, 120.51 APE8-rot-in 298.54 APE67-dihe-in -70.22, -23.54 -55.93, -40.24 APE12-dist-out 15.206 APE11-dist-in 13.846 APE10-dist-out 8.105 APE9-dist-in 4.058 K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A None None XRAY 1.8 0.196 0.214 D 364 311 9 0 0 0 [[37, 326]] 1.0 6bru Homo sapiens CK1_VRK1_HUMAN CK1 8.4e-105 355.8 1 261 261 196 197 198 200 202 71 83 87 174 176 175 177 243 231 226 225 224 223 222 221 220 132 Serine/threonine-protein kinase VRK1

Ligand: E5M

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