› 7pki

X-ray diffraction
2.94Å resolution

Crystal structure of human ACE2 bound to the spike receptor-binding domain from a cave bat sarbecovirus closely related to SARS-CoV-2.

Released:
DOI: 10.2210/pdb7pki/pdb
PDB entry 7pki coloured by chain, front view.
PDB entry 7pki coloured by chain, side view.
PDB entry 7pki coloured by chain, top view.
Source organisms:
Primary publication:
Bat coronaviruses related to SARS-CoV-2 and infectious for human cells.
Temmam S, Vongphayloth K, Baquero E, Munier S, Bonomi M, Regnault B, Douangboubpha B, Karami Y, Chrétien D, Sanamxay D, Xayaphet V, Paphaphanh P, Lacoste V, Somlor S, Lakeomany K, Phommavanh N, Pérot P, Dehan O, Amara F, Donati F, Bigot T, Nilges M, Rey FA, van der Werf S, Brey PT, Eloit M
Nature 604 330-336 (2022)
PMID: 35172323

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-144194 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (3 distinct):
Processed angiotensin-converting enzyme 2 Chain: A
Molecule details ›
Chain: A
Length: 596 amino acids
Theoretical weight: 69.04 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: Q9BYF1 (Residues: 19-614; Coverage: 76%)
Gene names: ACE2, UNQ868/PRO1885
Sequence domains: Angiotensin-converting enzyme
Spike protein S1 Chain: E
Molecule details ›
Chain: E
Length: 197 amino acids
Theoretical weight: 22.06 KDa
Source organism: Sarbecovirus
Expression system: Homo sapiens
UniProt:
  • Canonical: P0DTC2 (Residues: 332-528; Coverage: 16%)
Gene names: 2, S
Sequence domains: Betacoronavirus spike glycoprotein S1, receptor binding

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
7 bound ligands:
Ligand NAG 6 x NAG
Ligand SO4 4 x SO4
Ligand TRS 1 x TRS
Ligand PEG 5 x PEG
Ligand ZN 1 x ZN
Ligand CL 2 x CL
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P6522
Unit cell:
a: 341.535Å b: 341.535Å c: 68.153Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.215 0.214 0.227
Expression system: Homo sapiens

Quick links

Citations

48 review citations

The Impact of Evolving SARS-CoV-2 Mutations and Variants on COVID-19 Vaccines.
McLean et al. (2022)
47 more

4 mentions without citation

SARS-CoV-2-related bat virus behavior in human-relevant models sheds light on the origin of COVID-19.
Temmam et al. (2023)
3 more