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1.55 A resolution structure of MERS 3CL protease in complex with inhibitor GC813

X-ray diffraction
1.55Å resolution
PDB entry 5wkk coloured by chain, front view.
PDB entry 5wkk coloured by chain, side view.
PDB entry 5wkk coloured by chain, top view.
Source organism: Middle East 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: Papain-like protease nsp3
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Multimeric state: homo dimer
Accessible surface area: 23189.48 Å2
Buried surface area: 4063.33 Å2
Dissociation area: 1,742.7 Å2
Dissociation energy (ΔGdiss): 12.77 kcal/mol
Dissociation entropy (TΔSdiss): 13.9 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-125698

Macromolecules

3C-like proteinase nsp5
Chain: A
Length: 313 amino acids
Theoretical weight: 34.31 KDa
Source organism: Middle East respiratory syndrome-related coronavirus
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: K9N638 (Residues: 3248-3553; Coverage: 7%)
Gene name: 1a
Pfam: Coronavirus endopeptidase C30
InterPro:
CATH:
3C-like proteinase nsp5 in PDB entry 5wkk, assembly 1, front view.
3C-like proteinase nsp5 in PDB entry 5wkk, assembly 1, side view.
3C-like proteinase nsp5 in PDB entry 5wkk, assembly 1, top view.
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