› 4r5y

X-ray diffraction
3.5Å resolution

The complex structure of Braf V600E kinase domain with a novel Braf inhibitor

Released:
DOI: 10.2210/pdb4r5y/pdb
PDB entry 4r5y coloured by chain, front view.
PDB entry 4r5y coloured by chain, side view.
PDB entry 4r5y coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers.
Tang Z, Yuan X, Du R, Cheung SH, Zhang G, Wei J, Zhao Y, Feng Y, Peng H, Zhang Y, Du Y, Hu X, Gong W, Liu Y, Gao Y, Liu Y, Hao R, Li S, Wang S, Ji J, Zhang L, Li S, Sutton D, Wei M, Zhou C, Wang L, Luo L
Mol Cancer Ther 14 2187-97 (2015)
PMID: 26208524

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: 292 amino acids
Theoretical weight: 33.33 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P15056 (Residues: 444-723; Coverage: 37%)
Gene names: BRAF, BRAF1, RAFB1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 3K3 2 x 3K3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P212121
Unit cell:
a: 49.395Å b: 101.601Å c: 109.786Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.229 0.224 0.306
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

10 review citations

New perspectives for targeting RAF kinase in human cancer.
Karoulia et al. (2017)
9 more

8 mentions without citation

Durable Suppression of Acquired MEK Inhibitor Resistance in Cancer by Sequestering MEK from ERK and Promoting Antitumor T-cell Immunity.
Hong et al. (2021)
7 more