4Q9S: Human Focal Adhesion Kinase

Crystal Structure of human Focal Adhesion Kinase (Fak) bound to Compound1 (3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE). Determined by X-ray diffraction at 2.07 Å resolution. Released 2 Jul 2014.

Method: X-ray diffraction
Resolution: 2.07 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,178
Mol. weight: 32.32 kDa
Ligands: 30G
Released: 2 Jul 2014

Explore 4Q9S in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4Q9S contains 18 α-helices and 10 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 18 helices, 10 β-strands

Element	Residues	Length	Sheet
β-strand	416	1	1
α-helix	419-421	3
β-strand	422-430	9	1
β-strand	435-441	7	1
β-strand	449-455	7	1
α-helix	462-476	15
β-strand	483	1	2
α-helix	484-485	2
β-strand	486-490	5	1
α-helix	495	1
β-strand	496-500	5	1
β-strand	505-506	2	2
α-helix	507-513	7
α-helix	520-539	20
α-helix	549-551	3
β-strand	552-556	5	2
β-strand	559-562	4	2
α-helix	586-588	3
α-helix	591-596	6
α-helix	601-616	16
α-helix	620-621	2
α-helix	628-630	3
α-helix	631-636	6
α-helix	641-644	4
α-helix	649-658	10
α-helix	663-665	3
α-helix	667-668	2
α-helix	669-685	17

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Focal adhesion kinase 1	A	protein	281	Homo sapiens	Q05397 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4Q9S_1 Focal adhesion kinase 1 (chains A)
GAMGSSTRDYEIQRERIELGRCIGEGQFGDVHQGIYMSPENPALAVAIKTCKNCTSDSVR
EKFLQEALTMRQFDHPHIVKLIGVITENPVWIIMELCTLGELRSFLQVRKYSLDLASLIL
YAYQLSTALAYLESKRFVHRDIAARNVLVSSNDCVKLGDFGLSRYMEDSTYYKASKGKLP
IKWMAPESINFRRFTSASDVWMFGVCMWEILMHGVKPFQGVKNNDVIGRIENGERLPMPP
NCPPTLYSLMTKCWAYDPSRRPRFTELKAQLSTILEEEKAQ

Ligands and cofactors

ID	Name	Formula	Copies
30G	3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one	C10 H9 N3 O2	1

Primary citation

Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit. George, D.M., Breinlinger, E.C., Friedman, M. et al. J Med Chem (2015) 58:222-236. DOI 10.1021/jm500669m · PubMed

Other PDB entries of the same protein (UniProt Q05397 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6YOJ 1.36 Å, FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 6-[4-(3-Methanesulfonyl-benzylamin…
6YT6 1.54 Å, FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-2,3-dihyd…
4I4E 1.55 Å, Structure of Focal Adhesion Kinase catalytic domain in complex with hinge binding…
1MP8 1.6 Å, Crystal structure of Focal Adhesion Kinase (FAK)
4EBV 1.67 Å, Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric…
4I4F 1.75 Å, Structure of Focal Adhesion Kinase catalytic domain in complex with an allosteric…
6YQ1 1.78 Å, FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-1,2,3,4-t…
3PXK 1.79 Å, FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH Pyrrolo[2,3-d]thiazole
6YVS 1.81 Å, FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 5-{4-[(Pyridin-3-ylmethyl)-amino]-…
6YVY 1.92 Å, FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 4-{[4-{[(1R,2R)-2-(dimethylamino)c…
6YR9 1.93 Å, FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(2-{[2-(2-oxo-2,3-dihyd…
7W8I 1.94 Å, Crystal structure of Zn bound human Focal Adhesion Targeting (FAT) domain of the Focal…

Browse structure collections

About this viewer

MolViewer shows 4Q9S directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.