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Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9

X-ray diffraction
1.85Å resolution
PDB entry 2amd coloured by chain, front view.
PDB entry 2amd coloured by chain, side view.
PDB entry 2amd coloured by chain, top view.
Source organism: Severe acute respiratory syndrome-related coronavirus
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: SARS-CoV main protease complex
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Multimeric state: homo dimer
Accessible surface area: 25093.09 Å2
Buried surface area: 5358.04 Å2
Dissociation area: 1,510.55 Å2
Dissociation energy (ΔGdiss): 10.86 kcal/mol
Dissociation entropy (TΔSdiss): 13.92 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-143111
Complex Portal ID: CPX-5719

Macromolecules

3C-like proteinase nsp5
Chains: A, B
Length: 311 amino acids
Theoretical weight: 34.29 KDa
Source organism: Severe acute respiratory syndrome-related coronavirus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0C6X7 (Residues: 3241-3546; Coverage: 4%)
Gene names: 1a-1b, rep
Pfam: Coronavirus endopeptidase C30
InterPro:
CATH:
3C-like proteinase nsp5 in PDB entry 2amd, assembly 1, front view.
3C-like proteinase nsp5 in PDB entry 2amd, assembly 1, side view.
3C-like proteinase nsp5 in PDB entry 2amd, assembly 1, top view.
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