› 2xyd

X-ray diffraction
2.15Å resolution

human Angiotenisn converting enzyme N-domain in complex with Phosphinic tripeptide

Released:
DOI: 10.2210/pdb2xyd/pdb
PDB entry 2xyd coloured by chain, front view.
PDB entry 2xyd coloured by chain, side view.
PDB entry 2xyd coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Novel mechanism of inhibition of human angiotensin-I-converting enzyme (ACE) by a highly specific phosphinic tripeptide.
Akif M, Schwager SL, Anthony CS, Czarny B, Beau F, Dive V, Sturrock ED, Acharya KR
Biochem J 436 53-9 (2011)
PMID: 21352096

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 (5 distinct):
Angiotensin-converting enzyme, soluble form Chains: A, B
Molecule details ›
Chains: A, B
Length: 610 amino acids
Theoretical weight: 70.42 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P12821 (Residues: 30-639; Coverage: 48%)
Gene names: ACE, DCP, DCP1
Sequence domains: Angiotensin-converting enzyme

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, FUC, BMA
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
6 bound ligands:
Ligand 3ES 2 x 3ES
Ligand ZN 2 x ZN
Ligand CL 2 x CL
Ligand PEG 4 x PEG
Ligand PG4 2 x PG4
Ligand P6G 1 x P6G
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P1
Unit cell:
a: 72.837Å b: 76.437Å c: 82.954Å
α: 89.11° β: 64.43° γ: 75.87°
R-values:
R R work R free
0.222 0.22 0.256
Expression system: Cricetulus griseus

Quick links

Citations

3 review citations

Novel Therapeutic Approaches Targeting the Renin-Angiotensin System and Associated Peptides in Hypertension and Heart Failure.
Arendse et al. (2019)
2 more

10 mentions without citation

Considerations for Docking of Selective Angiotensin-Converting Enzyme Inhibitors.
Caballero J. (2020)
9 more