› 4njl

X-ray diffraction
2.3Å resolution

Crystal structure of middle east respiratory syndrome coronavirus S2 protein fusion core

Released:
DOI: 10.2210/pdb4njl/pdb
PDB entry 4njl coloured by chain, front view.
PDB entry 4njl coloured by chain, side view.
PDB entry 4njl coloured by chain, top view.
Source organism: Middle East respiratory syndrome-related coronavirus
Primary publication:
Structure-based discovery of Middle East respiratory syndrome coronavirus fusion inhibitor.
Lu L, Liu Q, Zhu Y, Chan KH, Qin L, Li Y, Wang Q, Chan JF, Du L, Yu F, Ma C, Ye S, Yuen KY, Zhang R, Jiang S
OpenAccess logo Nat Commun 5 3067 (2014)
PMID: 24473083

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-195819 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Spike protein S2' Chain: A
Molecule details ›
Chain: A
Length: 131 amino acids
Theoretical weight: 14.05 KDa
Source organism: Middle East respiratory syndrome-related coronavirus
Expression system: Escherichia coli
UniProt:
  • Canonical: R9UQ53 (Residues: 984-1063; Coverage: 6%)
Gene name: S
Structure domains: Single alpha-helices involved in coiled-coils or other helix-helix interfaces

Ligands and Environments

1 bound ligand:
Ligand PGE 1 x PGE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P321
Unit cell:
a: 43.51Å b: 43.51Å c: 129.633Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.223 0.22 0.261
Expression system: Escherichia coli

Quick links

Citations

111 review citations

Coronaviruses - drug discovery and therapeutic options.
Zumla et al. (2016)
110 more

18 mentions without citation

Structure, Function, and Evolution of Coronavirus Spike Proteins.
Li F. (2016)
17 more