› 6f9v

X-ray diffraction
1.69Å resolution

Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Sampatrilat.

Released:
DOI: 10.2210/pdb6f9v/pdb
PDB entry 6f9v coloured by chain, front view.
PDB entry 6f9v coloured by chain, side view.
PDB entry 6f9v coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of sampatrilat and sampatrilat-Asp in complex with human ACE - a molecular basis for domain selectivity.
Cozier GE, Schwager SL, Sharma RK, Chibale K, Sturrock ED, Acharya KR
FEBS J 285 1477-1490 (2018)
PMID: 29476645

Function and Biology Details

Reaction catalysed: 
Release of a C-terminal dipeptide, oligopeptide-|-Xaa-Yaa, when Xaa is not Pro, and Yaa is neither Asp nor Glu. Thus, conversion of angiotensin I to angiotensin II, with increase in vasoconstrictor activity, but no action on angiotensin II.
Biochemical function:
Biological process:
Cellular component:
Sequence domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146325 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (3 distinct):
Angiotensin-converting enzyme, soluble form Chains: A, B
Molecule details ›
Chains: A, B
Length: 629 amino acids
Theoretical weight: 72.59 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P12821 (Residues: 30-657; Coverage: 49%)
Gene names: ACE, DCP, DCP1
Sequence domains: Angiotensin-converting enzyme

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA, MAN, FUC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
10 bound ligands:
Ligand ZN 2 x ZN
Ligand D0Z 2 x D0Z
Ligand CL 4 x CL
Ligand NAG 4 x NAG
Ligand MG 3 x MG
Ligand EDO 7 x EDO
Ligand PEG 2 x PEG
Ligand PG4 1 x PG4
Ligand PGE 2 x PGE
Ligand P33 1 x P33
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P1
Unit cell:
a: 73.224Å b: 77.215Å c: 83.107Å
α: 88.36° β: 64.2° γ: 75.29°
R-values:
R R work R free
0.184 0.183 0.212
Expression system: Cricetulus griseus

Quick links

Citations

4 citation in other articles

Structural characterization and in-silico analysis of Momordica charantia 7S globulin for stability and ACE inhibition.
Kesari et al. (2020)
3 more

10 mentions without citation

ACE2 and ACE: structure-based insights into mechanism, regulation and receptor recognition by SARS-CoV.
Lubbe et al. (2020)
9 more