› 4c2p

X-ray diffraction
1.99Å resolution

Crystal structure of human testis angiotensin-I converting enzyme mutant R522K in complex with captopril

Released:
DOI: 10.2210/pdb4c2p/pdb
PDB entry 4c2p coloured by chain, front view.
PDB entry 4c2p coloured by chain, side view.
PDB entry 4c2p coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Molecular and thermodynamic mechanisms of the chloride-dependent human angiotensin-I-converting enzyme (ACE).
Yates CJ, Masuyer G, Schwager SL, Akif M, Sturrock ED, Acharya KR
OpenAccess logo J Biol Chem 289 1798-814 (2014)
PMID: 24297181

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 (2 distinct):
Angiotensin-converting enzyme, soluble form Chain: A
Molecule details ›
Chain: A
Length: 589 amino acids
Theoretical weight: 68.04 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

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA, FUC
Carbohydrate polymer
5 bound ligands:
Ligand ZN 1 x ZN
Ligand CL 2 x CL
Ligand X8Z 1 x X8Z
Ligand ACT 1 x ACT
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P212121
Unit cell:
a: 57.14Å b: 84.65Å c: 135.18Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.213 0.211 0.247
Expression system: Cricetulus griseus

Quick links

Citations

4 review citations

Targeting Metalloenzymes for Therapeutic Intervention.
Chen et al. (2019)
3 more

4 mentions without citation

Advances in the structural basis for angiotensin-1 converting enzyme (ACE) inhibitors.
Acharya et al. (2024)
3 more