› 1q2w

X-ray diffraction
1.86Å resolution

X-Ray Crystal Structure of the SARS Coronavirus Main Protease

Released:
DOI: 10.2210/pdb1q2w/pdb
PDB entry 1q2w coloured by chain, front view.
PDB entry 1q2w coloured by chain, side view.
PDB entry 1q2w coloured by chain, top view.
Source organism: Severe acute respiratory syndrome-related coronavirus
Primary publication:
Company Says It Mapped Part of SARS Virus
Bonanno JB, Fowler R, Gupta S, Hendle J, Lorimer D, Romero R, Sauder JM, Wei CL, Liu ET, Burley SK, Harris T
New York Times 30 July C2-C2 (2003)

Function and Biology Details

Reactions catalysed: 
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.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-143077 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3C-like proteinase nsp5 Chains: A, B
Molecule details ›
Chains: A, B
Length: 308 amino acids
Theoretical weight: 33.99 KDa
Source organism: Severe acute respiratory syndrome-related coronavirus
Expression system: Escherichia coli
UniProt:
  • Canonical: P0C6U8 (Residues: 3241-3544; Coverage: 7%)
Gene name: 1a
Sequence domains: Coronavirus endopeptidase C30
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand MPD 1 x MPD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P21
Unit cell:
a: 52.244Å b: 98.287Å c: 67.822Å
α: 90° β: 102.86° γ: 90°
R-values:
R R work R free
0.207 0.194 0.249
Expression system: Escherichia coli

Quick links