› 9gbn

X-ray diffraction
2Å resolution

Human Angiotensin-1 converting enzyme C-domain in complex with a diprolyl inhibitor- SG15

Released:
DOI: 10.2210/pdb9gbn/pdb
Model geometry
Fit model/data
PDB entry 9gbn coloured by chain, front view.
PDB entry 9gbn coloured by chain, side view.
PDB entry 9gbn coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Molecular basis of human angiotensin-1 converting enzyme inhibition by a series of diprolyl-derived compounds.
Gregory KS, Cozier GE, Fienberg S, Chibale K, Sturrock ED, Acharya KR
FEBS J (2025)
PMID: 39763019

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:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

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: 597 amino acids
Theoretical weight: 68.86 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P12821 (Residues: 642-1238; Coverage: 47%)
Gene names: ACE, DCP, DCP1
Sequence domains: Angiotensin-converting enzyme

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA, MAN, FUC
Carbohydrate polymer
5 bound ligands:
Ligand NAG 1 x NAG
Ligand EDO 1 x EDO
Ligand ZN 1 x ZN
Ligand CL 2 x CL
Ligand A1IJZ 1 x A1IJZ
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P212121
Unit cell:
a: 56.356Å b: 84.229Å c: 133.728Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.181 0.178 0.232
Expression system: Cricetulus griseus

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