› 4aph

X-ray diffraction
1.99Å resolution

Human angiotensin-converting enzyme in complex with angiotensin-II

Released:
DOI: 10.2210/pdb4aph/pdb
PDB entry 4aph coloured by chain, front view.
PDB entry 4aph coloured by chain, side view.
PDB entry 4aph coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Molecular recognition and regulation of human angiotensin-I converting enzyme (ACE) activity by natural inhibitory peptides.
Masuyer G, Schwager SL, Sturrock ED, Isaac RE, Acharya KR
Sci Rep 2 717 (2012)
PMID: 23056909

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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133812 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (3 distinct):
Angiotensin-converting enzyme, soluble form Chain: A
Molecule details ›
Chain: A
Length: 589 amino acids
Theoretical weight: 68.07 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P12821 (Residues: 642-1230; Coverage: 46%)
Gene names: ACE, DCP, DCP1
Sequence domains: Angiotensin-converting enzyme
Angiotensin-2 Chain: P
Molecule details ›
Chain: P
Length: 8 amino acids
Theoretical weight: 1.05 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P01019 (Residues: 25-32; Coverage: 2%)
Gene names: AGT, SERPINA8

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
5 bound ligands:
Ligand CL 2 x CL
Ligand ZN 1 x ZN
Ligand PE4 1 x PE4
Ligand NAG 1 x NAG
Ligand ACT 5 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P212121
Unit cell:
a: 56.5Å b: 84.66Å c: 133.97Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.194 0.24
Expression systems:
  • Cricetulus griseus
  • Not provided

Quick links

Citations

12 review citations

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

24 mentions without citation

Interactions of angiotensin-converting enzyme-2 (ACE2) and SARS-CoV-2 spike receptor-binding domain (RBD): a structural perspective.
Borkotoky et al. (2023)
23 more