Enah EVH1 in complex with ac-[2-cl-F]-[prom-2]-[prom-13]-oet

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 49% strand (DSSP).

Ligands and binding sites

• 8VK · Ethyl (3~{S},7~{R},10~{R},11~{R},13~{S})-4-[(3~{S}, 6~{R},8~{A}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3, 8~{A}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-ethyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate · ligand · 2 copies · chains A, B
• NO3 · Nitrate ion · ion · 7 copies · chains A, B
• SO4 · Sulfate ion · ion · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 594 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

• 5NEG · ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-13]-OEt · the same entry in another collection · chain A against A, TM-score 1.00
• Q8N8S7 · AlphaFold monomer V2.0 prediction for protein enabled homolog (Q8N8S7) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q8N8S7
• Elsewhere: RCSB PDB 5NEG · PDBe 5NEG · UniProt Q8N8S7