› 4i4e

X-ray diffraction
1.55Å resolution

Structure of Focal Adhesion Kinase catalytic domain in complex with hinge binding pyrazolobenzothiazine compound.

Released:
DOI: 10.2210/pdb4i4e/pdb
PDB entry 4i4e coloured by chain, front view.
PDB entry 4i4e coloured by chain, side view.
PDB entry 4i4e coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based discovery of cellular-active allosteric inhibitors of FAK.
Tomita N, Hayashi Y, Suzuki S, Oomori Y, Aramaki Y, Matsushita Y, Iwatani M, Iwata H, Okabe A, Awazu Y, Isono O, Skene RJ, Hosfield DJ, Miki H, Kawamoto T, Hori A, Baba A
Bioorg Med Chem Lett 23 1779-85 (2013)
PMID: 23414845

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: 281 amino acids
Theoretical weight: 32.12 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 1BQ 1 x 1BQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P21
Unit cell:
a: 45.584Å b: 47.339Å c: 62.686Å
α: 90° β: 98.99° γ: 90°
R-values:
R R work R free
0.166 0.165 0.189
Expression system: Spodoptera frugiperda

Quick links

Citations

15 review citations

FAK in cancer: mechanistic findings and clinical applications.
Sulzmaier et al. (2014)
14 more

2 mentions without citation

Structural protein-ligand interaction fingerprints (SPLIF) for structure-based virtual screening: method and benchmark study.
Da et al. (2014)
1 more