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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000038389

X-ray diffraction
1Å resolution
PDB entry 5rug coloured by chain, front view.
PDB entry 5rug coloured by chain, side view.
PDB entry 5rug coloured by chain, top view.
Source organism: Severe acute respiratory syndrome coronavirus 2
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: 3C-like proteinase nsp5
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Multimeric state: monomeric
Accessible surface area: 7785.64 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-145022
Assembly 2
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Assembly Name: 3C-like proteinase nsp5
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Multimeric state: monomeric
Accessible surface area: 8008.28 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-145022

Macromolecules

Papain-like protease nsp3
Chains: A, B
Length: 169 amino acids
Theoretical weight: 18.18 KDa
Source organism: Severe acute respiratory syndrome coronavirus 2
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0DTD1 (Residues: 1025-1191; Coverage: 2%)
Gene names: 1a-1b, rep
Pfam: Macro domain
InterPro:
Papain-like protease nsp3 in PDB entry 5rug, assembly 1, front view.
Papain-like protease nsp3 in PDB entry 5rug, assembly 1, side view.
Papain-like protease nsp3 in PDB entry 5rug, assembly 1, top view.
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