› 3skc

X-ray diffraction
3.2Å resolution

Human B-Raf Kinase in Complex with an Amide Linked Pyrazolopyridine Inhibitor

Released:
DOI: 10.2210/pdb3skc/pdb
PDB entry 3skc coloured by chain, front view.
PDB entry 3skc coloured by chain, side view.
PDB entry 3skc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Pyrazolopyridine inhibitors of B-RafV600E. Part 2: structure-activity relationships.
Wenglowsky S, Ahrendt KA, Buckmelter AJ, Feng B, Gloor SL, Gradl S, Grina J, Hansen JD, Laird ER, Lunghofer P, Mathieu S, Moreno D, Newhouse B, Ren L, Risom T, Rudolph J, Seo J, Sturgis HL, Voegtli WC, Wen Z
Bioorg Med Chem Lett 21 5533-7 (2011)
PMID: 21802293

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 BR2 2 x BR2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E+ SUPERBRIGHT
Spacegroup: P41212
Unit cell:
a: 107.9Å b: 107.9Å c: 151.47Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.235 0.233 0.271
Expression system: Trichoplusia ni

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Citations

6 review citations

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

8 mentions without citation

AlphaFold, Artificial Intelligence (AI), and Allostery.
Nussinov et al. (2022)
7 more