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Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor EtVC-CoA

X-ray diffraction
2.39Å resolution
PDB entry 4emw coloured by chain, front view.
PDB entry 4emw coloured by chain, side view.
PDB entry 4emw coloured by chain, top view.
Source organism: Staphylococcus aureus subsp. aureus USA300
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: Coenzyme A disulfide reductase
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Multimeric state: homo dimer
Accessible surface area: 33188.0 Å2
Buried surface area: 8864.41 Å2
Dissociation area: 2,922.98 Å2
Dissociation energy (ΔGdiss): 31.75 kcal/mol
Dissociation entropy (TΔSdiss): 14.95 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-173401

Macromolecules

Coenzyme A disulfide reductase
Chains: A, B
Length: 436 amino acids
Theoretical weight: 49.09 KDa
Source organism: Staphylococcus aureus subsp. aureus USA300
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q2FIA5 (Residues: 2-437; Coverage: 100%)
Gene names: SAUSA300_0873, cdr
Pfam:
InterPro:
CATH:
Coenzyme A disulfide reductase in PDB entry 4emw, assembly 1, front view.
Coenzyme A disulfide reductase in PDB entry 4emw, assembly 1, side view.
Coenzyme A disulfide reductase in PDB entry 4emw, assembly 1, top view.
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