› 5hyo

X-ray diffraction
2.1Å resolution

X-Ray Structure of Unbound Porcine Epidemic Diarrhea Virus 3CLpro

Released:
DOI: 10.2210/pdb5hyo/pdb
PDB entry 5hyo coloured by chain, front view.
PDB entry 5hyo coloured by chain, side view.
PDB entry 5hyo coloured by chain, top view.
Source organism: Porcine epidemic diarrhea virus
Primary publication:
X-Ray Structure and Inhibition of 3C-like Protease from Porcine Epidemic Diarrhea Virus.
St John SE, Anson BJ, Mesecar AD
Sci Rep 6 25961 (2016)
PMID: 27173881

Function and Biology Details

Reaction catalysed: 
Thiol-dependent hydrolysis of ester, thioester, amide, peptide and isopeptide bonds formed by the C-terminal Gly of ubiquitin (a 76-residue protein attached to proteins as an intracellular targeting signal).
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-197580 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
PEDV 3CLpro Chains: A, B
Molecule details ›
Chains: A, B
Length: 301 amino acids
Theoretical weight: 32.69 KDa
Source organism: Porcine epidemic diarrhea virus
Expression system: Escherichia coli
UniProt:
  • Canonical: U6BPB2 (Residues: 2998-3298; Coverage: 7%)
Gene name: ORF1a
Sequence domains: Coronavirus endopeptidase C30
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand IPA 7 x IPA
Ligand MPD 2 x MPD
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P212121
Unit cell:
a: 58.586Å b: 76.292Å c: 119.169Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.204 0.269
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Porcine Epidemic Diarrhea Virus and the Host Innate Immune Response.
Li et al. (2020)
2 more

2 mentions without citation

X-Ray Structure and Inhibition of 3C-like Protease from Porcine Epidemic Diarrhea Virus.
St John et al. (2016)
1 more