4I4E: Focal Adhesion Kinase catalytic domain

Structure of Focal Adhesion Kinase catalytic domain in complex with hinge binding pyrazolobenzothiazine compound. Determined by X-ray diffraction at 1.55 Å resolution. Released 6 Mar 2013.

Method: X-ray diffraction
Resolution: 1.55 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,418
Mol. weight: 32.59 kDa
Ligands: 1BQ
Released: 6 Mar 2013

Explore 4I4E in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4I4E contains 19 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: 19 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	462-468	7
α-helix	470-476	7
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	506	1	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	669-684	16

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

>4I4E_1 Focal adhesion kinase 1 (chains A)
GAMGSSTRDYEIQRERIELGRCIGEGQFGDVHQGIYMSPENPALAVAIKTCKNCTSDSVR
EKFLQEALTMRQFDHPHIVKLIGVITENPVWIIMELCTLGELRSFLQVRKYSLDLASLIL
YAYQLSTALAYLESKRFVHRDIAARNVLVSSNDCVKLGDFGLSRYMEDSTYYKASKGKLP
IKWMAPESINFRRFTSASDVWMFGVCMWEILMHGVKPFQGVKNNDVIGRIENGERLPMPP
NCPPTLYSLMTKCWAYDPSRRPRFTELKAQLSTILEEEKAQ

Ligands and cofactors

ID	Name	Formula	Copies
1BQ	[4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[…	C24 H26 N4 O4 S	1

Primary citation

Structure-based discovery of cellular-active allosteric inhibitors of FAK. Tomita, N., Hayashi, Y., Suzuki, S. et al. Bioorg Med Chem Lett (2013) 23:1779-1785. DOI 10.1016/j.bmcl.2013.01.047 · 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…
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…
1K04 1.95 Å, Crystal Structure of the Focal Adhesion Targeting Domain of Focal Adhesion Kinase

Browse structure collections

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