› 4mbj

X-ray diffraction
3.6Å resolution

Human B-Raf Kinase Domain in Complex with an Imidazopyridine-based Inhibitor

Released:
DOI: 10.2210/pdb4mbj/pdb
PDB entry 4mbj coloured by chain, front view.
PDB entry 4mbj coloured by chain, side view.
PDB entry 4mbj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Imidazo[4,5-b]pyridine inhibitors of B-Raf kinase.
Newhouse BJ, Wenglowsky S, Grina J, Laird ER, Voegtli WC, Ren L, Ahrendt K, Buckmelter A, Gloor SL, Klopfenstein N, Rudolph J, Wen Z, Li X, Feng B
Bioorg Med Chem Lett 23 5896-9 (2013)
PMID: 24042006

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147199 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase B-raf Chains: A, B
Molecule details ›
Chains: A, B
Length: 304 amino acids
Theoretical weight: 34.81 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P15056 (Residues: 432-723; Coverage: 38%)
Gene names: BRAF, BRAF1, RAFB1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P41212
Unit cell:
a: 106.97Å b: 106.97Å c: 152.44Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.276 0.276 0.328
Expression system: Trichoplusia ni

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Citations

2 review citations

Imidazopyridines as a source of biological activity and their pharmacological potentials-Infrared and Raman spectroscopic evidence of their content in pharmaceuticals and plant materials.
Dymińska L. (2015)
1 more

11 mentions without citation

Comprehensive Characterization of Cancer Driver Genes and Mutations.
Bailey et al. (2018)
10 more