7AKI: ENAH EVH1

ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-NH2. Determined by X-ray diffraction at 1.36 Å resolution. Released 25 Nov 2020.

Method
X-ray diffraction
Resolution
1.36 Å
Organism
Homo sapiens
Chains
1
Atoms
1,132
Mol. weight
14.04 kDa
Ligands
RJQ
Released
25 Nov 2020

Explore 7AKI in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7AKI contains 2 α-helices and 8 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: 2 helices, 8 β-strands

ElementResiduesLengthSheet
β-strand3-17151
β-strand22-2541
α-helix26-283
β-strand32-4091
β-strand45-5281
β-strand58-6361
β-strand71-7221
β-strand77-8151
β-strand86-9161
α-helix94-11017

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Protein enabled homologAprotein113Homo sapiensQ8N8S7 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>7AKI_1 Protein enabled homolog (chains A)
GSMSEQSICQARAAVMVYDDANKKWVPAGGSTGFSRVHIYHHTGNNTFRVVGRKIQDHQV
VINCAIPKGLKYNQATQTFHQWRDARQVYGLNFGSKEDANVFASAMMHALEVL

Ligands and cofactors

IDNameFormulaCopies
RJQ(3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-…C35 H41 Cl N6 O62

Water and common crystallization additives (NO3) are not listed.

Primary citation

Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells. Barone, M., Muller, M., Chiha, S. et al. Proc Natl Acad Sci U S A (2020) 117:29684-29690. DOI 10.1073/pnas.2007213117 · PubMed

Other PDB entries of the same protein (UniProt Q8N8S7 (AlphaFold model), which also has an AlphaFold model), best resolution first:

Browse structure collections

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