› 6yoj

X-ray diffraction
1.36Å resolution

FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 6-[4-(3-Methanesulfonyl-benzylamino)-5-trifluoromethyl-pyrimidin-2-ylamino]-3,4-dihydro-1H-quinolin-2-one

Released:
DOI: 10.2210/pdb6yoj/pdb
PDB entry 6yoj coloured by chain, front view.
PDB entry 6yoj coloured by chain, side view.
PDB entry 6yoj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Berger BT, Amaral M, Kokh DB, Nunes-Alves A, Musil D, Heinrich T, Schröder M, Neil R, Wang J, Navratilova I, Bomke J, Elkins JM, Müller S, Frech M, Wade RC, Knapp S
Cell Chem Biol 28 686-698.e7 (2021)
PMID: 33497606

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: 282 amino acids
Theoretical weight: 32.3 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: Q05397 (Residues: 411-689; Coverage: 27%)
Gene names: FAK, FAK1, PTK2
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

1 bound ligand:
Ligand P4N 1 x P4N
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 42.525Å b: 48.396Å c: 129.325Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.171 0.198
Expression system: Trichoplusia ni

Quick links

Citations

4 review citations

Trends in kinase drug discovery: targets, indications and inhibitor design.
Attwood et al. (2021)
3 more

5 mentions without citation

The Development of FAK Inhibitors: A Five-Year Update.
Spallarossa et al. (2022)
4 more