› 6cad

X-ray diffraction
2.55Å resolution

Crystal structure of RAF kinase domain bound to the inhibitor 2a

Released:
DOI: 10.2210/pdb6cad/pdb
PDB entry 6cad coloured by chain, front view.
PDB entry 6cad coloured by chain, side view.
PDB entry 6cad coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Effects of rigidity on the selectivity of protein kinase inhibitors.
Assadieskandar A, Yu C, Maisonneuve P, Liu X, Chen YC, Prakash GKS, Kurinov I, Sicheri F, Zhang C
Eur J Med Chem 146 519-528 (2018)
PMID: 29407977

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: 284 amino acids
Theoretical weight: 32.25 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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 EU4 2 x EU4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P21212
Unit cell:
a: 85.493Å b: 114.548Å c: 55.599Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.256 0.255 0.277
Expression system: Escherichia coli

Quick links

Citations

5 citation in other articles

Biological Evaluation of Arylsemicarbazone Derivatives as Potential Anticancer Agents.
Nascimento da Cruz et al. (2019)
4 more

3 mentions without citation

Therapeutics for COVID-19: from computation to practices-where we are, where we are heading to.
Ojha et al. (2021)
2 more