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The Crystal Structure of SARS-CoV-2 Omicron Mpro (P132H) in complex with demethylated analog of masitinib

X-ray diffraction
1.886Å resolution
PDB entry 7tvs coloured by chain, front view.
PDB entry 7tvs coloured by chain, side view.
PDB entry 7tvs coloured by chain, top view.
Source organism: Severe acute respiratory syndrome 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-2 main protease complex
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Multimeric state: homo dimer
Accessible surface area: 25205.03 Å2
Buried surface area: 3823.3 Å2
Dissociation area: 1,604.28 Å2
Dissociation energy (ΔGdiss): 4.94 kcal/mol
Dissociation entropy (TΔSdiss): 13.91 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-145080
Complex Portal ID: CPX-5687

Macromolecules

3C-like proteinase nsp5
Chain: A
Length: 306 amino acids
Theoretical weight: 33.87 KDa
Source organism: Severe acute respiratory syndrome coronavirus
Expression system: Escherichia coli
UniProt:
  • Canonical: P0DTD1 (Residues: 3264-3569; Coverage: 4%)
Gene names: 1a-1b, rep
Pfam: Coronavirus endopeptidase C30
InterPro:
3C-like proteinase nsp5 in PDB entry 7tvs, assembly 1, front view.
3C-like proteinase nsp5 in PDB entry 7tvs, assembly 1, side view.
3C-like proteinase nsp5 in PDB entry 7tvs, assembly 1, top view.
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