› 3q4c

X-ray diffraction
3.2Å resolution

Crystal Structure of Wild Type BRAF kinase domain in complex with organometallic inhibitor CNS292

Released:
DOI: 10.2210/pdb3q4c/pdb
PDB entry 3q4c coloured by chain, front view.
PDB entry 3q4c coloured by chain, side view.
PDB entry 3q4c coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The crystal structure of BRAF in complex with an organoruthenium inhibitor reveals a mechanism for inhibition of an active form of BRAF kinase.
Xie P, Streu C, Qin J, Bregman H, Pagano N, Meggers E, Marmorstein R
Biochemistry 48 5187-98 (2009)
PMID: 19371126

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: 307 amino acids
Theoretical weight: 35.22 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
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 RSW 1 x RSW
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P41212
Unit cell:
a: 94.905Å b: 94.905Å c: 163.349Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.232 0.232 0.28
Expression system: unidentified baculovirus

Quick links

Citations

6 review citations

Organometallic anticancer compounds.
Gasser et al. (2011)
5 more

10 mentions without citation

Point Mutation Specific Antibodies in B-Cell and T-Cell Lymphomas and Leukemias: Targeting IDH2, KRAS, BRAF and Other Biomarkers RHOA, IRF8, MYD88, ID3, NRAS, SF3B1 and EZH2.
Singh et al. (2021)
9 more