Enah EVH1 in complex with ac-[2-cl-F]-pp-[prom-1]-oh

Structure

x-ray diffraction · 3 distinct chains · 18% helix, 49% strand (DSSP).

Ligands and binding sites

• ACE · Acetyl group · ligand · 4 copies · chains A, F, B, G, H, M
• 2L5 · 2-chloro-L-phenylalanine · ligand · 4 copies · chains A, F, B, G, H, M
• 92B · (3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid · ligand · 4 copies · chains A, F, B, G, H, M
• SO4 · Sulfate ion · ion · 3 copies · chains A, B
• NO3 · Nitrate ion · ion · 3 copies · chains A, B
• GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

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

Interfaces

5 interfaces between chains.

• A–B · 355 Ų buried · 2 hydrogen bonds · protein-protein
• B–G · 135 Ų buried · 2 hydrogen bonds · protein-protein
• A–F · 134 Ų buried · 3 hydrogen bonds · protein-protein
• B–H · 119 Ų buried · 4 hydrogen bonds · protein-protein
• A–M · 119 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 covalent (covalent ligand).

Compared structures

• 5N9C · ENAH EVH1 in complex with Ac-[2-Cl-F]-PP-[ProM-1]-OH · 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 B 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 5N9C · PDBe 5N9C · UniProt Q8N8S7