5zvk

X-ray diffraction
3.31Å resolution

Crystal Structure of the Human Coronavirus MERS HR1 motif in complex with pan-CoVs inhibitor EK1

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
PDBe Complex ID:
PDB-CPX-125682 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Spike protein S2' Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 80 amino acids
Theoretical weight: 8.56 KDa
Source organism: Middle East respiratory syndrome-related coronavirus
Expression system: Escherichia coli
UniProt:
  • Canonical: K9N5Q8 (Residues: 984-1062; Coverage: 6%)
Gene names: 3, S
Structure domains: Single alpha-helices involved in coiled-coils or other helix-helix interfaces
pan-CoV inhibitory peptide EK1 Chains: a, b, c
Molecule details ›
Chains: a, b, c
Length: 44 amino acids
Theoretical weight: 4.92 KDa
Source organism: synthetic construct
Expression system: Escherichia coli

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P3121
Unit cell:
a: 60.28Å b: 60.28Å c: 175.228Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.262 0.259 0.314
Expression system: Escherichia coli