› 9fmm

X-ray diffraction
2.5Å resolution

Structure of human ACE2 in complex with a fluorinated small molecule inhibitor

Released:
DOI: 10.2210/pdb9fmm/pdb
PDB entry 9fmm coloured by chain, front view.
PDB entry 9fmm coloured by chain, side view.
PDB entry 9fmm coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Development of radiofluorinated MLN-4760 derivatives for PET imaging of the SARS-CoV-2 entry receptor ACE2.
Wang J, Beyer D, Vaccarin C, He Y, Tanriver M, Benoit R, Deupi X, Mu L, Bode JW, Schibli R, Müller C
Eur J Nucl Med Mol Imaging (2024)
PMID: 39066808

Function and Biology Details

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-189831 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Angiotensin-converting enzyme 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 730 amino acids
Theoretical weight: 84.66 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni

Ligands and Environments

6 bound ligands:
Ligand A1IDX 2 x A1IDX
Ligand NAG 6 x NAG
Ligand EDO 9 x EDO
Ligand CL 3 x CL
Ligand NA 2 x NA
Ligand ZN 2 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P21
Unit cell:
a: 99.3Å b: 82.9Å c: 105.5Å
α: 90° β: 104.2° γ: 90°
R-values:
R R work R free
0.215 0.213 0.265
Expression system: Trichoplusia ni

Quick links

Citations

1 review citation

Radiotracers for Molecular Imaging of Angiotensin-Converting Enzyme 2.
Xu et al. (2024)