Enah EVH1 in complex with ac-[2-cl-F]-[prom-2]-[prom-1]-tedel-NH2

Structure

x-ray diffraction · 3 distinct chains · 22% helix, 46% strand (DSSP).

Ligands and binding sites

• K1N · (3~{S},7~{R},10~{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-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid · ligand · 2 copies · chains B, C, A, D
• NO3 · Nitrate ion · ion · 10 copies · chains B, A
• GOL · Glycerol · additive · 3 copies · chains B, A

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.

• B–A · 453 Ų buried · 10 hydrogen bonds · protein-protein
• B–C · 206 Ų buried · 1 hydrogen bond · protein-protein
• A–D · 203 Ų buried · 1 hydrogen bond · protein-protein
• A–C · 74 Ų buried · 2 hydrogen bonds · protein-protein
• B–D · 56 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 2 covalent, 2 modified (covalent ligand, nonstandard).

Compared structures

• 6RD2 · ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-TEDEL-NH2 · the same entry in another collection · chain B against B, 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 0.98

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 6RD2 · PDBe 6RD2 · UniProt Q8N8S7