› 6suk

X-ray diffraction
1.75Å resolution

Crystal structure of Neprilysin in complex with Omapatrilat.

Released:
DOI: 10.2210/pdb6suk/pdb
PDB entry 6suk coloured by chain, front view.
PDB entry 6suk coloured by chain, side view.
PDB entry 6suk coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Molecular Basis for Omapatrilat and Sampatrilat Binding to Neprilysin-Implications for Dual Inhibitor Design with Angiotensin-Converting Enzyme.
Sharma U, Cozier GE, Sturrock ED, Acharya KR
J Med Chem 63 5488-5500 (2020)
PMID: 32337993

Function and Biology Details

Reaction catalysed: 
Preferential cleavage of polypeptides between hydrophobic residues, particularly with Phe or Tyr at P1'.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-140129 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Neprilysin Chain: A
Molecule details ›
Chain: A
Length: 699 amino acids
Theoretical weight: 79.92 KDa
Source organism: Homo sapiens
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P08473 (Residues: 52-750; Coverage: 93%)
Gene names: EPN, MME
Sequence domains:

Ligands and Environments

5 bound ligands:
Ligand ZN 1 x ZN
Ligand NAG 4 x NAG
Ligand FT8 1 x FT8
Ligand PEG 2 x PEG
Ligand EDO 4 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P3221
Unit cell:
a: 107.935Å b: 107.935Å c: 112.841Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.166 0.166 0.2
Expression system: Komagataella pastoris

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Citations

5 review citations

PDE-Mediated Cyclic Nucleotide Compartmentation in Vascular Smooth Muscle Cells: From Basic to a Clinical Perspective.
Lorigo et al. (2021)
4 more

5 mentions without citation

Molecular Basis for Omapatrilat and Sampatrilat Binding to Neprilysin-Implications for Dual Inhibitor Design with Angiotensin-Converting Enzyme.
Sharma et al. (2020)
4 more