6XXR: ENAH EVH1

ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPPTEDEA-NH2. Determined by X-ray diffraction at 1.48 Å resolution. Released 4 Nov 2020.

Method: X-ray diffraction
Resolution: 1.48 Å
Organisms: Homo sapiens, Synthetic construct
Chains: 4
Atoms: 1,925
Mol. weight: 27 kDa
Released: 4 Nov 2020

Explore 6XXR in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6XXR contains 5 α-helices and 16 β-strands across 4 chains. 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: 1 helix, 8 β-strands

Element	Residues	Length	Sheet
β-strand	3-17	15	1
β-strand	22-25	4	1
β-strand	33-40	8	1
β-strand	45-52	8	1
β-strand	58-64	7	1
β-strand	70-72	3	1
β-strand	77-81	5	1
β-strand	86-91	6	1
α-helix	94-110	17

Chain B: 2 helices, 8 β-strands

Element	Residues	Length	Sheet
β-strand	5-17	13	2
β-strand	22-25	4	2
α-helix	26-28	3
β-strand	33-40	8	2
β-strand	45-52	8	2
β-strand	58-64	7	2
β-strand	71-74	4	2
β-strand	77-81	5	2
β-strand	86-91	6	2
α-helix	94-110	17

Chains F and G: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	3-5	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Protein enabled homolog	A, B	protein	113	Homo sapiens	Q8N8S7 (AlphaFold model)
Ac-[2-cl-F]-pppptedea-NH2	F, G	protein	7	Synthetic construct

Sequence of entity 1 (A, B), FASTA

>6XXR_1 Protein enabled homolog (chains A, B)
GSMSEQSICQARAAVMVYDDANKKWVPAGGSTGFSRVHIYHHTGNNTFRVVGRKIQDHQV
VINCAIPKGLKYNQATQTFHQWRDARQVYGLNFGSKEDANVFASAMMHALEVL

Sequence of entity 2 (F, G), FASTA

>6XXR_2 Ac-[2-Cl-F]-PPPPTEDEA-NH2 (chains F, G)
XXPPPPT

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:

7A5M 0.78 Å, ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe
6RD2 1.0 Å, ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-TEDEL-NH2
5NCG 1.02 Å, ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-9]-OH
6RCF 1.1 Å, ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OH
5NBF 1.15 Å, ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-3]-OH
5N9C 1.16 Å, ENAH EVH1 in complex with Ac-[2-Cl-F]-PP-[ProM-1]-OH
5NEG 1.29 Å, ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-13]-OEt
2HO2 1.33 Å, Structure of human FE65-WW domain in complex with hMena peptide.
6RCJ 1.35 Å, ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OMe
7AKI 1.36 Å, ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-NH2
5NCF 1.4 Å, ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-4]-OH
6XVT 1.4 Å, ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPPTEDDL-NH2

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