› 3idp

X-ray diffraction
2.7Å resolution

B-Raf V600E kinase domain in complex with an aminoisoquinoline inhibitor

Released:
DOI: 10.2210/pdb3idp/pdb
PDB entry 3idp coloured by chain, front view.
PDB entry 3idp coloured by chain, side view.
PDB entry 3idp coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Selective inhibitors of the mutant B-Raf pathway: discovery of a potent and orally bioavailable aminoisoquinoline.
Smith AL, DeMorin FF, Paras NA, Huang Q, Petkus JK, Doherty EM, Nixey T, Kim JL, Whittington DA, Epstein LF, Lee MR, Rose MJ, Babij C, Fernando M, Hess K, Le Q, Beltran P, Carnahan J
J Med Chem 52 6189-92 (2009)
PMID: 19764794

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: 300 amino acids
Theoretical weight: 34.51 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P15056 (Residues: 434-727; Coverage: 38%)
Gene names: BRAF, BRAF1, RAFB1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand L1E 2 x L1E
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P41212
Unit cell:
a: 93.457Å b: 93.457Å c: 166.679Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.206 0.201 0.264
Expression system: Trichoplusia ni

Quick links

Citations

1 review citation

Small molecule inhibitors of BRAF in clinical trials.
Zambon et al. (2012)
23 other articles

7 mentions without citation

Identification of a novel class of RIP1/RIP3 dual inhibitors that impede cell death and inflammation in mouse abdominal aortic aneurysm models.
Zhou et al. (2019)
6 more