Neprilysin in complex with the inhibitor (R)-4-(1-carboxy-3-(3'- chlorobiphenyl-4-YL)PROPAN-2-ylamino)-4-oxobutanoic acid

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 7% strand (DSSP).

Ligands and binding sites

• N9Q · 4-[[(2~{R})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid · ligand · 2 copies · chains A, B
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, B
• ZN · Zinc ion · metal · 2 copies · chains A, B

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

Pockets

18 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 974 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide, 8 glycan (disulfide, N-glycosylation).

Compared structures

• 6THP · Neprilysin in complex with the inhibitor (R)-4-(1-carboxy-3-(3'-chlorobiphenyl-4-yl)propan… · the same entry in another collection · chain A against A, TM-score 1.00
• P08473 · AlphaFold monomer V2.0 prediction for neprilysin (P08473) · a predicted model of the same protein · chain A against A, TM-score 1.00

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 P08473
• Elsewhere: RCSB PDB 6THP · PDBe 6THP · UniProt P08473