› 4e26

X-ray diffraction
2.55Å resolution

BRAF in complex with an organic inhibitor 7898734

Released:
DOI: 10.2210/pdb4e26/pdb
PDB entry 4e26 coloured by chain, front view.
PDB entry 4e26 coloured by chain, side view.
PDB entry 4e26 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of a novel family of BRAF(V600E) inhibitors.
Qin J, Xie P, Ventocilla C, Zhou G, Vultur A, Chen Q, Liu Q, Herlyn M, Winkler J, Marmorstein R
J Med Chem 55 5220-30 (2012)
PMID: 22537109

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:
homo dimer
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: 307 amino acids
Theoretical weight: 35.22 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P15056 (Residues: 432-726; Coverage: 39%)
Gene names: BRAF, BRAF1, RAFB1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 734 2 x 734
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P41212
Unit cell:
a: 94.277Å b: 94.277Å c: 163.472Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.22 0.22 0.262
Expression system: Spodoptera frugiperda

Quick links

Citations

6 review citations

Mitigating risk in academic preclinical drug discovery.
Dahlin et al. (2015)
5 more

22 mentions without citation

Recurrent somatic alterations of FGFR1 and NTRK2 in pilocytic astrocytoma.
Jones et al. (2013)
21 more