7lfv

X-ray diffraction
2.23Å resolution

Crystal structure of the SARS CoV-1 Papain-like protease in complex with peptide inhibitor VIR251

Released:

Function and Biology Details

Reactions catalysed:
S-adenosyl-L-methionine + a 5'-(5'-triphosphoguanosine)-[mRNA] = S-adenosyl-L-homocysteine + a 5'-(N(7)-methyl 5'-triphosphoguanosine)-[mRNA]
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]
Nucleoside triphosphate + RNA(n) = diphosphate + RNA(n+1)
GTP + a 5'-diphospho-[mRNA] = diphosphate + a 5'-(5'-triphosphoguanosine)-[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).
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.
ATP + H(2)O = ADP + phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
PDBe Complex ID:
PDB-CPX-533581 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Papain-like protease nsp3 Chains: A, B
Molecule details ›
Chains: A, B
Length: 325 amino acids
Theoretical weight: 36.69 KDa
Source organism: Severe acute respiratory syndrome-related coronavirus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0C6X7 (Residues: 1541-1856; Coverage: 5%)
Gene names: 1a-1b, rep
Sequence domains: Coronavirus papain-like peptidase
Papain-like protease peptide inhibitor VIR251 Chains: D, F
Molecule details ›
Chains: D, F
Length: 5 amino acids
Theoretical weight: 480 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

2 modified residues:

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: P6522
Unit cell:
a: 103.61Å b: 103.61Å c: 265.354Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.199 0.197 0.235
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided