› 6f9u

X-ray diffraction
1.9Å resolution

Crystal structure of human testis Angiotensin-1 converting enzyme in complex with Sampatrilat-Asp.

Released:
DOI: 10.2210/pdb6f9u/pdb
PDB entry 6f9u coloured by chain, front view.
PDB entry 6f9u coloured by chain, side view.
PDB entry 6f9u 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
OpenAccess logo 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 (2 distinct):
Angiotensin-converting enzyme, soluble form Chain: A
Molecule details ›
Chain: A
Length: 591 amino acids
Theoretical weight: 68.28 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P12821 (Residues: 642-1232; Coverage: 46%)
Gene names: ACE, DCP, DCP1
Sequence domains: Angiotensin-converting enzyme

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA, MAN, FUC
Carbohydrate polymer
9 bound ligands:
Ligand NAG 1 x NAG
Ligand ZN 1 x ZN
Ligand CL 2 x CL
Ligand 1PE 1 x 1PE
Ligand D0W 1 x D0W
Ligand BO3 1 x BO3
Ligand IMD 2 x IMD
Ligand EDO 6 x EDO
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P212121
Unit cell:
a: 56.316Å b: 85.861Å c: 133.233Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.169 0.167 0.209
Expression system: Cricetulus griseus

Quick links

Citations

2 review citations

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

6 mentions without citation

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