› 6yr9

X-ray diffraction
1.92Å resolution

FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide

Released:
DOI: 10.2210/pdb6yr9/pdb
PDB entry 6yr9 coloured by chain, front view.
PDB entry 6yr9 coloured by chain, side view.
PDB entry 6yr9 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 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
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 P9K 4 x P9K
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: C2
Unit cell:
a: 110.222Å b: 74.538Å c: 172.546Å
α: 90° β: 103.11° γ: 90°
R-values:
R R work R free
0.193 0.192 0.218
Expression system: Trichoplusia ni

Quick links

Citations

2 review citations

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