4K9Y: FOCAL ADHESION KINASE Catalytic domain

FOCAL ADHESION KINASE Catalytic domain in complex with 1-[4-(6-Amino-purin-9-yl)-phenyl]-3-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-urea. Determined by X-ray diffraction at 2.0 Å resolution. Released 11 Sept 2013.

Method: X-ray diffraction
Resolution: 2.0 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,489
Mol. weight: 32.44 kDa
Ligands: K9Y
Released: 11 Sept 2013

Explore 4K9Y in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4K9Y 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	422-429	8	1
β-strand	436-441	6	1
β-strand	449-455	7	1
α-helix	462-475	14
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	567-569	3
α-helix	574-580	7
α-helix	591-596	6
α-helix	601-616	16
α-helix	620-621	2
α-helix	628-636	9
α-helix	641-644	4
α-helix	649-658	10
α-helix	663-665	3
α-helix	667-668	2
α-helix	669-684	16

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Focal adhesion kinase 1	A	protein	279	Homo sapiens	Q05397 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4K9Y_1 Focal adhesion kinase 1 (chains A)
GSPSTRDYEIQRERIELGRCIGEGQFGDVHQGIYMSPENPALAVAIKTCKNCTSDSVREK
FLQEALTMRQFDHPHIVKLIGVITENPVWIIMELCTLGELRSFLQVRKYSLDLASLILYA
YQLSTALAYLESKRFVHRDIAARNVLVSSNDCVKLGDFGLSRYMEDSTYYKASKGKLPIK
WMAPESINFRRFTSASDVWMFGVCMWEILMHGVKPFQGVKNNDVIGRIENGERLPMPPNC
PPTLYSLMTKCWAYDPSRRPRFTELKAQLSTILEEEKAQ

Ligands and cofactors

ID	Name	Formula	Copies
K9Y	1-[4-(6-amino-9H-purin-9-yl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyraz…	C26 H27 N9 O	1

Primary citation

Fragment-based discovery of focal adhesion kinase inhibitors. Gradler, U., Bomke, J., Musil, D. et al. Bioorg Med Chem Lett (2013) 23:5401-5409. DOI 10.1016/j.bmcl.2013.07.050 · 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

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