| 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 | 6BRUA | Q99986 | 20 | 341 | 396.0 | No_ligand | No_ligand | Inactive | DFGin | 8.0334 | 14.707 | BLAminus | -117.66, 174.8 | 73.4, 90.42 | -111.17, 18.43 | 297.57, 83.73 | -62.66, -32.45 | in-in | in | 7.7505 | Saltbr-in | 2.7232 | HRD-in | -89.4, -48.02 | 76.76, 0.18 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9094 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -112.07, 4.26 | APE9-dihe-na | 85.33, -161.74 | APE8-dihe-in | -100.33, 121.11 | APE8-rot-in | 296.71 | APE67-dihe-in | -67.79, -25.01 | -53.75, -41.68 | APE12-dist-in | 9.256 | APE11-dist-out | 5.4967 | APE10-dist-out | 10.929 | APE9-dist-in | 3.8042 | K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A | None | None | XRAY | 1.8 | 0.196 | 0.214 | A | 364.0 | 322.0 | 0 | 35 | 35 | 0 | [[37, 326]] | 1.0 | 6bru | 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 | 6BRUC | Q99986 | 21 | 341 | 396.0 | No_ligand | No_ligand | Inactive | DFGin | 7.9847 | 14.9619 | BLAminus | -117.45, 175.22 | 72.9, 90.95 | -111.5, 17.79 | 298.09, 83.36 | -63.53, -31.92 | in-in | in | 8.0282 | Saltbr-in | 2.732 | HRD-in | -88.93, -48.21 | 76.94, 0.57 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8702 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -112.0, 3.87 | APE9-dihe-na | 86.79, -161.39 | APE8-dihe-in | -100.72, 120.61 | APE8-rot-in | 298.11 | APE67-dihe-in | -68.1, -24.22 | -53.45, -41.86 | APE12-dist-in | 9.1948 | APE11-dist-out | 5.5096 | APE10-dist-out | 10.9601 | APE9-dist-in | 3.808 | K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A | None | None | XRAY | 1.8 | 0.196 | 0.214 | C | 364.0 | 315.0 | 6 | 35 | 35 | 0 | [[37, 326]] | 1.0 | 6bru | 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 | 6BRUB | Q99986 | 23 | 341 | 396.0 | E5M:401 | Type1.5_Back | Inactive | DFGin | 8.3574 | 14.7479 | BLAminus | -116.05, 174.64 | 73.11, 90.37 | -112.13, 20.06 | 298.39, 84.27 | -63.74, -27.85 | in-in | in | 8.0769 | Saltbr-in | 2.7276 | 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 | 15.5991 | APE11-dist-out | 14.2978 | APE10-dist-out | 8.5755 | APE9-dist-in | 4.0236 | K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A | None | None | XRAY | 1.8 | 0.196 | 0.214 | B | 364.0 | 301.0 | 18 | 35 | 35 | 0 | [[37, 326]] | 1.0 | 6bru | 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 | 6BRUD | Q99986 | 22 | 341 | 396.0 | E5M:401 | Type1.5_Back | Inactive | DFGin | 8.2362 | 14.6243 | BLAminus | -117.89, 173.75 | 70.48, 89.16 | -108.83, 20.66 | 296.08, 83.19 | -48.29, -34.49 | in-in | in | 8.0302 | Saltbr-in | 2.8773 | 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 | 15.2061 | APE11-dist-in | 13.8461 | APE10-dist-out | 8.1052 | APE9-dist-in | 4.0579 | K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A | None | None | XRAY | 1.8 | 0.196 | 0.214 | D | 364.0 | 311.0 | 9 | 35 | 35 | 0 | [[37, 326]] | 1.0 | 6bru | 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 |
| 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 | 6BRUA | Q99986 | 20 | 341 | 396.0 | No_ligand | No_ligand | Inactive | DFGin | 8.0334 | 14.707 | BLAminus | -117.66, 174.8 | 73.4, 90.42 | -111.17, 18.43 | 297.57, 83.73 | -62.66, -32.45 | in-in | in | 7.7505 | Saltbr-in | 2.7232 | HRD-in | -89.4, -48.02 | 76.76, 0.18 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9094 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -112.07, 4.26 | APE9-dihe-na | 85.33, -161.74 | APE8-dihe-in | -100.33, 121.11 | APE8-rot-in | 296.71 | APE67-dihe-in | -67.79, -25.01 | -53.75, -41.68 | APE12-dist-in | 9.256 | APE11-dist-out | 5.4967 | APE10-dist-out | 10.929 | APE9-dist-in | 3.8042 | K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A | None | None | XRAY | 1.8 | 0.196 | 0.214 | A | 364.0 | 322.0 | 0 | 35 | 35 | 0 | [[37, 326]] | 1.0 | 6bru | 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 | 6BRUC | Q99986 | 21 | 341 | 396.0 | No_ligand | No_ligand | Inactive | DFGin | 7.9847 | 14.9619 | BLAminus | -117.45, 175.22 | 72.9, 90.95 | -111.5, 17.79 | 298.09, 83.36 | -63.53, -31.92 | in-in | in | 8.0282 | Saltbr-in | 2.732 | HRD-in | -88.93, -48.21 | 76.94, 0.57 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8702 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -112.0, 3.87 | APE9-dihe-na | 86.79, -161.39 | APE8-dihe-in | -100.72, 120.61 | APE8-rot-in | 298.11 | APE67-dihe-in | -68.1, -24.22 | -53.45, -41.86 | APE12-dist-in | 9.1948 | APE11-dist-out | 5.5096 | APE10-dist-out | 10.9601 | APE9-dist-in | 3.808 | K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A | None | None | XRAY | 1.8 | 0.196 | 0.214 | C | 364.0 | 315.0 | 6 | 35 | 35 | 0 | [[37, 326]] | 1.0 | 6bru | 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 | 6BRUB | Q99986 | 23 | 341 | 396.0 | E5M:401 | Type1.5_Back | Inactive | DFGin | 8.3574 | 14.7479 | BLAminus | -116.05, 174.64 | 73.11, 90.37 | -112.13, 20.06 | 298.39, 84.27 | -63.74, -27.85 | in-in | in | 8.0769 | Saltbr-in | 2.7276 | 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 | 15.5991 | APE11-dist-out | 14.2978 | APE10-dist-out | 8.5755 | APE9-dist-in | 4.0236 | K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A | None | None | XRAY | 1.8 | 0.196 | 0.214 | B | 364.0 | 301.0 | 18 | 35 | 35 | 0 | [[37, 326]] | 1.0 | 6bru | 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 | 6BRUD | Q99986 | 22 | 341 | 396.0 | E5M:401 | Type1.5_Back | Inactive | DFGin | 8.2362 | 14.6243 | BLAminus | -117.89, 173.75 | 70.48, 89.16 | -108.83, 20.66 | 296.08, 83.19 | -48.29, -34.49 | in-in | in | 8.0302 | Saltbr-in | 2.8773 | 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 | 15.2061 | APE11-dist-in | 13.8461 | APE10-dist-out | 8.1052 | APE9-dist-in | 4.0579 | K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A | None | None | XRAY | 1.8 | 0.196 | 0.214 | D | 364.0 | 311.0 | 9 | 35 | 35 | 0 | [[37, 326]] | 1.0 | 6bru | 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 |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| 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 |
|---|