› 4ebw

X-ray diffraction
2.65Å resolution

Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor

Released:
DOI: 10.2210/pdb4ebw/pdb
PDB entry 4ebw coloured by chain, front view.
PDB entry 4ebw coloured by chain, side view.
PDB entry 4ebw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and characterization of novel allosteric FAK inhibitors.
Iwatani M, Iwata H, Okabe A, Skene RJ, Tomita N, Hayashi Y, Aramaki Y, Hosfield DJ, Hori A, Baba A, Miki H
Eur J Med Chem 61 49-60 (2013)
PMID: 22819505

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170202 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Focal adhesion kinase 1 Chain: A
Molecule details ›
Chain: A
Length: 304 amino acids
Theoretical weight: 35.09 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q05397 (Residues: 411-686; Coverage: 26%)
Gene names: FAK, FAK1, PTK2
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 0PF 1 x 0PF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: C2
Unit cell:
a: 81.3Å b: 47.86Å c: 83.667Å
α: 90° β: 118.39° γ: 90°
R-values:
R R work R free
0.186 0.182 0.273
Expression system: Spodoptera frugiperda

Quick links

Citations

8 review citations

Targeting FAK in human cancer: from finding to first clinical trials.
Golubovskaya VM. (2014)
7 more

2 mentions without citation

Ten things you should know about protein kinases: IUPHAR Review 14.
Fabbro et al. (2015)
1 more