› 4wmf

X-ray diffraction
1.97Å resolution

Crystal structure of catalytically inactive MERS-CoV 3CL protease (C148A) in spacegroup P212121

Released:
DOI: 10.2210/pdb4wmf/pdb
PDB entry 4wmf coloured by chain, front view.
PDB entry 4wmf coloured by chain, side view.
PDB entry 4wmf coloured by chain, top view.
Source organism: Middle East respiratory syndrome-related coronavirus
Primary publication:
Structures of the Middle East respiratory syndrome coronavirus 3C-like protease reveal insights into substrate specificity.
Needle D, Lountos GT, Waugh DS
Acta Crystallogr D Biol Crystallogr 71 1102-11 (2015)
PMID: 25945576

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

Assemblies composition:
homo dimer (preferred)
homo trimer
Assembly name:
PDBe Complex ID:
PDB-CPX-197770 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
ORF1a Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 306 amino acids
Theoretical weight: 33.32 KDa
Source organism: Middle East respiratory syndrome-related coronavirus
Expression system: Escherichia coli
UniProt:
  • Canonical: W6A941 (Residues: 3248-3553; Coverage: 7%)
Sequence domains: Coronavirus endopeptidase C30
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand PEG 6 x PEG
Ligand PG4 5 x PG4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 94.059Å b: 120.391Å c: 138.884Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.193 0.226
Expression system: Escherichia coli

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Citations

12 review citations

Individual risk management strategy and potential therapeutic options for the COVID-19 pandemic.
Gasmi et al. (2020)
11 more

5 mentions without citation

HCV glycoprotein structures: what to expect from the unexpected.
Khan et al. (2015)
4 more