7dvp

X-ray diffraction
1.69Å resolution

SARS-CoV-2 Mpro mutant (H41A) in complex with nsp4|5 peptidyl substrate

Released:
Model geometry
Fit model/data

Function and Biology Details

Reactions catalysed:
a 5'-end (5'-triphosphoguanosine)-ribonucleoside in mRNA + S-adenosyl-L-methionine = a 5'-end (N(7)-methyl 5'-triphosphoguanosine)-ribonucleosidein mRNA + S-adenosyl-L-homocysteine.
a 5'-end (N(7)-methyl 5'-triphosphoguanosine)-ribonucleoside in mRNA +S-adenosyl-L-methionine = a 5'-end (N(7)-methyl 5'-triphosphoguanosine)-(2'-O-methyl-ribonucleoside) in mRNA + S-adenosyl-L-homocysteine + H(+).
RNA(n) + a ribonucleoside 5'-triphosphate = RNA(n+1) + diphosphate.
a 5'-end diphospho-ribonucleoside in mRNA + GTP + H(+) = a 5'-end(5'-triphosphoguanosine)-ribonucleoside in mRNA + diphosphate.
Thiol-dependent hydrolysis of ester, thioester, amide, peptide andisopeptide bonds formed by the C-terminal Gly of ubiquitin (a 76-residueprotein attached to proteins as an intracellular targeting signal).
TSAVLQ-|-SGFRK-NH2 and SGVTFQ-|-GKFKK the two peptides corresponding tothe two self-cleavage sites of the SARS 3C-like proteinase are the twomost reactive peptide substrates. The enzyme exhibits a strong preferencefor substrates containing Gln at P1 position and Leu at P2 position.
ATP + H2O = ADP + phosphate + H(+).
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
PDBe Complex ID:
PDB-CPX-145081 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
3C-like proteinase nsp5 Chain: A
Molecule details ›
Chain: A
Length: 306 amino acids
Theoretical weight: 33.76 KDa
Source organism: Severe acute respiratory syndrome coronavirus 2
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0DTD1 (Residues: 3264-3569; Coverage: 4%)
Gene names: 1a-1b, rep
Sequence domains: Coronavirus endopeptidase C30
3C-like proteinase nsp5 Chain: C
Molecule details ›
Chain: C
Length: 20 amino acids
Theoretical weight: 2.16 KDa
Source organism: Severe acute respiratory syndrome coronavirus 2
Expression system: Not provided
UniProt:
  • Canonical: P0DTD1 (Residues: 3254-3273; Coverage: 0%)
Gene names: 1a-1b, rep

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: C2
Unit cell:
a: 98.228Å b: 82.581Å c: 54.145Å
α: 90° β: 117.79° γ: 90°
R-values:
R R work R free
0.181 0.179 0.219
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided