› 4gu6

X-ray diffraction
1.95Å resolution

FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-{3-[(5-Cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-ylamino)- methyl]-pyridin-2-yl}-N-methyl-methanesulfonamide

Released:
DOI: 10.2210/pdb4gu6/pdb
PDB entry 4gu6 coloured by chain, front view.
PDB entry 4gu6 coloured by chain, side view.
PDB entry 4gu6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Fragment-based discovery of new highly substituted 1H-pyrrolo[2,3-b]- and 3H-imidazolo[4,5-b]-pyridines as focal adhesion kinase inhibitors.
Heinrich T, Seenisamy J, Emmanuvel L, Kulkarni SS, Bomke J, Rohdich F, Greiner H, Esdar C, Krier M, Grädler U, Musil D
J Med Chem 56 1160-70 (2013)
PMID: 23294348

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

Assemblies composition:
homo dimer
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
Molecule details ›
Chains: A, B
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
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 10N 2 x 10N
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 53.378Å b: 55.698Å c: 192.881Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.17 0.194
Expression system: Trichoplusia ni

Quick links

Citations

7 review citations

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

7 mentions without citation

The azaindole framework in the design of kinase inhibitors.
Mérour et al. (2014)
6 more