› 5ita

X-ray diffraction
1.95Å resolution

Crystal Structure of BRAF Kinase Domain Bound to AZ-VEM

Released:
DOI: 10.2210/pdb5ita/pdb
PDB entry 5ita coloured by chain, front view.
PDB entry 5ita coloured by chain, side view.
PDB entry 5ita 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

Assemblies composition:
monomeric (preferred)
homo dimer
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: 297 amino acids
Theoretical weight: 33.73 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P15056 (Residues: 448-723; Coverage: 36%)
Gene names: BRAF, BRAF1, RAFB1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 6DC 2 x 6DC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P212121
Unit cell:
a: 52.105Å b: 103.817Å c: 110.567Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.197 0.195 0.244
Expression system: Escherichia coli BL21(DE3)

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