› 8c7y

X-ray diffraction
1.65Å resolution

Crystal structure of BRAF V600E in complex with a hybrid compound 6

Released:
DOI: 10.2210/pdb8c7y/pdb
PDB entry 8c7y coloured by chain, front view.
PDB entry 8c7y coloured by chain, side view.
PDB entry 8c7y coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design, synthesis and characterisation of a novel type II B-RAF paradox breaker inhibitor.
Arora R, Linders JTM, Aci-Sèche S, Verheyen T, Van Heerde E, Brehmer D, Chaikuad A, Knapp S, Bonnet P
Eur J Med Chem 250 115231 (2023)
PMID: 36878151

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: 282 amino acids
Theoretical weight: 32.12 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P15056 (Residues: 444-721; Coverage: 36%)
Gene names: BRAF, BRAF1, RAFB1
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

3 bound ligands:
Ligand EDO 19 x EDO
Ligand NO3 1 x NO3
Ligand TXV 2 x TXV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P212121
Unit cell:
a: 49.269Å b: 97.739Å c: 115.279Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.153 0.152 0.175
Expression system: Escherichia coli

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