› 6bru

X-ray diffraction
1.8Å resolution

Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor

Released:
DOI: 10.2210/pdb6bru/pdb
PDB entry 6bru coloured by chain, front view.
PDB entry 6bru coloured by chain, side view.
PDB entry 6bru coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Counago RM, dos Reis CV, de Souza GP, Aquino B, 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

3 bound ligands:
Ligand SO4 9 x SO4
Ligand E5M 2 x E5M
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: P212121
Unit cell:
a: 92.755Å b: 97.138Å c: 193.651Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.195 0.214
Expression system: Escherichia coli BL21(DE3)

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