› 4ebv

X-ray diffraction
1.67Å resolution

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

Released:
DOI: 10.2210/pdb4ebv/pdb
PDB entry 4ebv coloured by chain, front view.
PDB entry 4ebv coloured by chain, side view.
PDB entry 4ebv 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

2 bound ligands:
Ligand 0O7 1 x 0O7
Ligand IPA 2 x IPA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: C2
Unit cell:
a: 74.222Å b: 47.954Å c: 83.281Å
α: 90° β: 112.45° γ: 90°
R-values:
R R work R free
0.19 0.187 0.236
Expression system: Spodoptera frugiperda

Quick links

Citations

7 review citations

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

6 mentions without citation

Therapeutic Targeting the Allosteric Cysteinome of RAS and Kinase Families.
Li et al. (2022)
5 more