› 3ppk

X-ray diffraction
3Å resolution

Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor

Released:
DOI: 10.2210/pdb3ppk/pdb
PDB entry 3ppk coloured by chain, front view.
PDB entry 3ppk coloured by chain, side view.
PDB entry 3ppk coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Non-oxime inhibitors of B-Raf(V600E) kinase.
Ren L, Wenglowsky S, Miknis G, Rast B, Buckmelter AJ, Ely RJ, Schlachter S, Laird ER, Randolph N, Callejo M, Martinson M, Galbraith S, Brandhuber BJ, Vigers G, Morales T, Voegtli WC, Lyssikatos J
Bioorg Med Chem Lett 21 1243-7 (2011)
PMID: 21251822

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: Trichoplusia ni
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 FNI 2 x FNI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P41212
Unit cell:
a: 100.311Å b: 100.311Å c: 163.354Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.24 0.238 0.28
Expression system: Trichoplusia ni

Quick links

Citations

1 review citation

Recent progress in the identification of BRAF inhibitors as anti-cancer agents.
El-Nassan HB. (2014)
16 other articles

2 mentions without citation

The yin-yang of kinase activation and unfolding explains the peculiarity of Val600 in the activation segment of BRAF.
Kiel et al. (2016)
1 more