› 6cnx

X-ray diffraction
2Å resolution

Crystal Structure of the Human vaccinia-related kinase 1 (VRK1) bound to an N-propynyl-N-isopentyl-dihydropteridin inhibitor

Released:
DOI: 10.2210/pdb6cnx/pdb
PDB entry 6cnx coloured by chain, front view.
PDB entry 6cnx coloured by chain, side view.
PDB entry 6cnx coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Counago RM, dos Reis CV, de Souza GP, Azevedo A, Guimaraes C, Mascarello A, Gama F, Ferreira M, Massirer KB, Arruda P, Edwards AM, Elkins JM, Structural Genomics Consortium (SGC)

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-189297 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase VRK1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 364 amino acids
Theoretical weight: 41.14 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q99986 (Residues: 3-364; Coverage: 91%)
Gene name: VRK1
Sequence domains: Protein kinase domain
Structure domains: Transferase(Phosphotransferase) domain 1

Ligands and Environments

5 bound ligands:
Ligand F87 3 x F87
Ligand SO4 4 x SO4
Ligand ACT 14 x ACT
Ligand GOL 1 x GOL
Ligand FCS 1 x FCS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: P212121
Unit cell:
a: 92.47Å b: 96.821Å c: 192.831Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.187 0.211
Expression system: Escherichia coli BL21(DE3)

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