Ligand: KWJ

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 6NPNA
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
CK1 VRK1 VRK1_HUMAN 6NPNA Q99986 21 341 396.0 KWJ:401 Type1.5_Back Inactive DFGin 7.8731 14.2445 BLAminus -119.17, 172.95 75.09, 89.59 -108.0, 18.27 295.67, 83.71 -66.44, -26.61 in-in in 7.8372 Saltbr-in 2.7295 HRD-in -89.24, -48.0 75.46, 0.27 in-in-out SNCiio in-out ActLoopNT-in 2.8978 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -99.97, -9.36 APE9-dihe-na 90.53, -162.44 APE8-dihe-in -93.92, 118.52 APE8-rot-in 305.6 APE67-dihe-in -67.7, -25.6 -53.81, -41.89 APE12-dist-in 10.4524 APE11-dist-out 5.3455 APE10-dist-out 10.612 APE9-dist-in 4.0634 K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A None None XRAY 2.2 0.188 0.218 A 364.0 317.0 4 35 35 0 [[37, 326]] 1.0 6npn CK1_VRK1_HUMAN CK1 8.4e-105 355.8 1.0 261.0 261.0 196 197 198 200 202 71 83 87 174 176 175 177.0 243 231 226 225 224 223 222 221 220 132 Serine/threonine-protein kinase VRK1
CK1 VRK1 VRK1_HUMAN 6NPNB Q99986 24 341 396.0 KWJ:401 Type1.5_Back Inactive DFGin 7.8969 14.1863 BLAminus -121.49, 173.95 72.21, 84.07 -98.86, 26.98 293.62, 82.26 -66.37, -25.96 in-in in 7.8335 Saltbr-in 2.6813 HRD-in -91.27, -49.34 75.97, -0.29 in-in-out SNCiio in-out ActLoopNT-in 2.909 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -71.31, 153.26 APE9-dihe-na 99.07, -164.89 APE8-dihe-in -92.69, 118.62 APE8-rot-in 305.31 APE67-dihe-in -65.91, -27.16 -54.76, -41.68 APE12-dist-out 14.899 APE11-dist-in 13.3483 APE10-dist-in 7.6238 APE9-dist-in 4.0916 K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A None None XRAY 2.2 0.188 0.218 B 364.0 301.0 17 35 35 0 [[37, 326]] 1.0 6npn CK1_VRK1_HUMAN CK1 8.4e-105 355.8 1.0 261.0 261.0 196 197 198 200 202 71 83 87 174 176 175 177.0 243 231 226 225 224 223 222 221 220 132 Serine/threonine-protein kinase VRK1
CK1 VRK1 VRK1_HUMAN 6NPNC Q99986 21 341 396.0 KWJ:401 Type1.5_Back Inactive DFGin 7.8789 14.7178 BLAminus -121.46, 174.24 75.08, 92.15 -111.88, 18.29 295.79, 85.38 -65.27, -28.05 in-in in 8.1981 Saltbr-in 2.7059 HRD-in -89.5, -49.52 75.66, 0.96 in-in-out SNCiio in-out ActLoopNT-in 2.8851 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -100.08, -10.32 APE9-dihe-na 88.39, -162.15 APE8-dihe-in -95.06, 117.85 APE8-rot-in 304.01 APE67-dihe-in -69.67, -25.31 -51.69, -41.59 APE12-dist-in 9.8417 APE11-dist-out 5.1248 APE10-dist-out 10.6428 APE9-dist-in 3.9504 K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A None None XRAY 2.2 0.188 0.218 C 364.0 315.0 6 35 35 0 [[37, 326]] 1.0 6npn CK1_VRK1_HUMAN CK1 8.4e-105 355.8 1.0 261.0 261.0 196 197 198 200 202 71 83 87 174 176 175 177.0 243 231 226 225 224 223 222 221 220 132 Serine/threonine-protein kinase VRK1
CK1 VRK1 VRK1_HUMAN 6NPND Q99986 22 341 396.0 KWJ:401 Type1.5_Back Inactive DFGin 7.9024 14.4209 BLAminus -122.09, 171.77 67.86, 84.63 -95.8, 28.98 292.85, 92.04 -68.32, -23.59 in-in in 7.7336 Saltbr-in 2.6655 HRD-in -92.96, -45.57 73.38, 2.84 in-in-out SNCiio in-out ActLoopNT-in 2.9938 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -71.5, 153.29 APE9-dihe-na 101.76, -167.65 APE8-dihe-in -89.04, 117.71 APE8-rot-in 304.96 APE67-dihe-in -67.62, -26.59 -55.51, -41.06 APE12-dist-out 14.8149 APE11-dist-in 13.2237 APE10-dist-in 7.5073 APE9-dist-in 4.1424 K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A None None XRAY 2.2 0.188 0.218 D 364.0 311.0 9 35 35 0 [[37, 326]] 1.0 6npn CK1_VRK1_HUMAN CK1 8.4e-105 355.8 1.0 261.0 261.0 196 197 198 200 202 71 83 87 174 176 175 177.0 243 231 226 225 224 223 222 221 220 132 Serine/threonine-protein kinase VRK1

Ligand: KWJ

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 6NPNA
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
CK1 VRK1 VRK1_HUMAN 6NPNA Q99986 21 341 396.0 KWJ:401 Type1.5_Back Inactive DFGin 7.8731 14.2445 BLAminus -119.17, 172.95 75.09, 89.59 -108.0, 18.27 295.67, 83.71 -66.44, -26.61 in-in in 7.8372 Saltbr-in 2.7295 HRD-in -89.24, -48.0 75.46, 0.27 in-in-out SNCiio in-out ActLoopNT-in 2.8978 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -99.97, -9.36 APE9-dihe-na 90.53, -162.44 APE8-dihe-in -93.92, 118.52 APE8-rot-in 305.6 APE67-dihe-in -67.7, -25.6 -53.81, -41.89 APE12-dist-in 10.4524 APE11-dist-out 5.3455 APE10-dist-out 10.612 APE9-dist-in 4.0634 K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A None None XRAY 2.2 0.188 0.218 A 364.0 317.0 4 35 35 0 [[37, 326]] 1.0 6npn Homo sapiens CK1_VRK1_HUMAN CK1 8.4e-105 355.8 1.0 261.0 261.0 196 197 198 200 202 71 83 87 174 176 175 177.0 243 231 226 225 224 223 222 221 220 132 Serine/threonine-protein kinase VRK1
CK1 VRK1 VRK1_HUMAN 6NPNB Q99986 24 341 396.0 KWJ:401 Type1.5_Back Inactive DFGin 7.8969 14.1863 BLAminus -121.49, 173.95 72.21, 84.07 -98.86, 26.98 293.62, 82.26 -66.37, -25.96 in-in in 7.8335 Saltbr-in 2.6813 HRD-in -91.27, -49.34 75.97, -0.29 in-in-out SNCiio in-out ActLoopNT-in 2.909 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -71.31, 153.26 APE9-dihe-na 99.07, -164.89 APE8-dihe-in -92.69, 118.62 APE8-rot-in 305.31 APE67-dihe-in -65.91, -27.16 -54.76, -41.68 APE12-dist-out 14.899 APE11-dist-in 13.3483 APE10-dist-in 7.6238 APE9-dist-in 4.0916 K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A None None XRAY 2.2 0.188 0.218 B 364.0 301.0 17 35 35 0 [[37, 326]] 1.0 6npn Homo sapiens CK1_VRK1_HUMAN CK1 8.4e-105 355.8 1.0 261.0 261.0 196 197 198 200 202 71 83 87 174 176 175 177.0 243 231 226 225 224 223 222 221 220 132 Serine/threonine-protein kinase VRK1
CK1 VRK1 VRK1_HUMAN 6NPNC Q99986 21 341 396.0 KWJ:401 Type1.5_Back Inactive DFGin 7.8789 14.7178 BLAminus -121.46, 174.24 75.08, 92.15 -111.88, 18.29 295.79, 85.38 -65.27, -28.05 in-in in 8.1981 Saltbr-in 2.7059 HRD-in -89.5, -49.52 75.66, 0.96 in-in-out SNCiio in-out ActLoopNT-in 2.8851 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -100.08, -10.32 APE9-dihe-na 88.39, -162.15 APE8-dihe-in -95.06, 117.85 APE8-rot-in 304.01 APE67-dihe-in -69.67, -25.31 -51.69, -41.59 APE12-dist-in 9.8417 APE11-dist-out 5.1248 APE10-dist-out 10.6428 APE9-dist-in 3.9504 K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A None None XRAY 2.2 0.188 0.218 C 364.0 315.0 6 35 35 0 [[37, 326]] 1.0 6npn Homo sapiens CK1_VRK1_HUMAN CK1 8.4e-105 355.8 1.0 261.0 261.0 196 197 198 200 202 71 83 87 174 176 175 177.0 243 231 226 225 224 223 222 221 220 132 Serine/threonine-protein kinase VRK1
CK1 VRK1 VRK1_HUMAN 6NPND Q99986 22 341 396.0 KWJ:401 Type1.5_Back Inactive DFGin 7.9024 14.4209 BLAminus -122.09, 171.77 67.86, 84.63 -95.8, 28.98 292.85, 92.04 -68.32, -23.59 in-in in 7.7336 Saltbr-in 2.6655 HRD-in -92.96, -45.57 73.38, 2.84 in-in-out SNCiio in-out ActLoopNT-in 2.9938 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -71.5, 153.29 APE9-dihe-na 101.76, -167.65 APE8-dihe-in -89.04, 117.71 APE8-rot-in 304.96 APE67-dihe-in -67.62, -26.59 -55.51, -41.06 APE12-dist-out 14.8149 APE11-dist-in 13.2237 APE10-dist-in 7.5073 APE9-dist-in 4.1424 K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A None None XRAY 2.2 0.188 0.218 D 364.0 311.0 9 35 35 0 [[37, 326]] 1.0 6npn Homo sapiens CK1_VRK1_HUMAN CK1 8.4e-105 355.8 1.0 261.0 261.0 196 197 198 200 202 71 83 87 174 176 175 177.0 243 231 226 225 224 223 222 221 220 132 Serine/threonine-protein kinase VRK1

Ligand: KWJ

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