4zuh

X-ray diffraction
2.39Å resolution

Complex structure of PEDV 3CLpro mutant (C144A) with a peptide substrate.

Released:

Function and Biology Details

Reactions catalysed:
Nucleoside triphosphate + RNA(n) = diphosphate + RNA(n+1)
ATP + H(2)O = ADP + phosphate
TSAVLQ-|-SGFRK-NH(2) and SGVTFQ-|-GKFKK the two peptides corresponding to the two self-cleavage sites of the SARS 3C-like proteinase are the two most reactive peptide substrates. The enzyme exhibits a strong preference for substrates containing Gln at P1 position and Leu at P2 position.
S-adenosyl-L-methionine + a 5'-(N(7)-methyl 5'-triphosphoguanosine)-(ribonucleotide)-[mRNA] = S-adenosyl-L-homocysteine + a 5'-(N(7)-methyl 5'-triphosphoguanosine)-(2'-O-methyl-ribonucleotide)-[mRNA]
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:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
PEDV 3C-Like protease Chains: A, B
Molecule details ›
Chains: A, B
Length: 305 amino acids
Theoretical weight: 33.26 KDa
Source organism: Porcine epidemic diarrhea virus
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: R4JK63 (Residues: 2998-3296; Coverage: 4%)
Structure domains:
3C-like proteinase nsp5 Chain: C
Molecule details ›
Chain: C
Length: 11 amino acids
Theoretical weight: 1.2 KDa
Source organism: synthetic construct
Expression system: Not provided
UniProt:
  • Canonical: P0C6X7 (Residues: 3235-3245; Coverage: 0%)
Gene names: 1a-1b, rep

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P21
Unit cell:
a: 56.681Å b: 91.881Å c: 58.012Å
α: 90° β: 100.24° γ: 90°
R-values:
R R work R free
0.159 0.155 0.219
Expression systems:
  • Escherichia coli BL21
  • Not provided