› 1r4l

X-ray diffraction
3Å resolution

Inhibitor Bound Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2)

Released:
DOI: 10.2210/pdb1r4l/pdb
PDB entry 1r4l coloured by chain, front view.
PDB entry 1r4l coloured by chain, side view.
PDB entry 1r4l coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis.
Towler P, Staker B, Prasad SG, Menon S, Tang J, Parsons T, Ryan D, Fisher M, Williams D, Dales NA, Patane MA, Pantoliano MW
J Biol Chem 279 17996-8007 (2004)
PMID: 14754895

Function and Biology Details

Reaction catalysed: 
Angiotensin II + H(2)O = angiotensin-(1-7) + L-phenylalanine
Biochemical function:
Biological process:
Cellular component:
Sequence domain:
Structure domain:

Structure analysis Details

Assembly composition:
hetero pentamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-162426 (preferred)
Entry contents:
5 distinct polypeptide molecules
Macromolecules (5 distinct):
Processed angiotensin-converting enzyme 2 Chain: A
Molecule details ›
Chain: A
Length: 615 amino acids
Theoretical weight: 71 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9BYF1 (Residues: 1-615; Coverage: 76%)
Gene names: ACE2, UNQ868/PRO1885
Sequence domains: Angiotensin-converting enzyme
disordered segment of collectrin homology domain Chain: B
Molecule details ›
Chain: B
Length: 6 amino acids
Theoretical weight: 529 Da
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
disordered segment of collectrin homology domain Chain: C
Molecule details ›
Chain: C
Length: 20 amino acids
Theoretical weight: 1.72 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
disordered segment of collectrin homology domain Chain: D
Molecule details ›
Chain: D
Length: 18 amino acids
Theoretical weight: 1.55 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
disordered segment of collectrin homology domain Chain: E
Molecule details ›
Chain: E
Length: 14 amino acids
Theoretical weight: 1.21 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda

Ligands and Environments

4 bound ligands:
Ligand NAG 2 x NAG
Ligand CL 1 x CL
Ligand ZN 1 x ZN
Ligand XX5 1 x XX5
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: C2
Unit cell:
a: 100.531Å b: 86.509Å c: 105.858Å
α: 90° β: 103.65° γ: 90°
R-values:
R R work R free
0.253 0.253 0.337
Expression system: Spodoptera frugiperda

Quick links

Citations

104 review citations

Origin and evolution of pathogenic coronaviruses.
Cui et al. (2019)
103 more

131 mentions without citation

A review on drug repurposing applicable to COVID-19.
Dotolo et al. (2021)
130 more