› 4rzv

X-ray diffraction
2.99Å resolution

Crystal structure of the BRAF (R509H) kinase domain monomer bound to Vemurafenib

Released:
DOI: 10.2210/pdb4rzv/pdb
PDB entry 4rzv coloured by chain, front view.
PDB entry 4rzv coloured by chain, side view.
PDB entry 4rzv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling
Karoulia Z, Wu Y, Ahmed TA, Qisheng X, Bollard J, Krepler C, Wu X, Zhang C, Bollag G, Herlym M, Fagin JA, Lujambio A, Gavathiotis E, Poulikakos PI
Cancer Cell 30 1-14 (2016)

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147194 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase B-raf Chains: A, B
Molecule details ›
Chains: A, B
Length: 281 amino acids
Theoretical weight: 32.01 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P15056 (Residues: 443-723; Coverage: 37%)
Gene names: BRAF, BRAF1, RAFB1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 032 2 x 032
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: I222
Unit cell:
a: 64.975Å b: 71.698Å c: 243.281Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.204 0.267
Expression system: Escherichia coli

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