Brand  (β version)

PDB ID: 4EM3

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Ligands
Code Name Style Show Link
CA6 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-4-[[3-(4-methylsulfonylbutylamino)-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate PoSSuM
CL Chloride ion PoSSuM
FAD Flavin-adenine dinucleotide PoSSuM
MG Magnesium ion PoSSuM
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Structure summary

Code : 4EM3   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Title : Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor MeVS-CoA
Release Data : 2012-10-17
Compound :
mol_id molecule chains synonym
1 Coenzyme A disulfide reductase A,B CoA-disulfide reductase, CoADR
ec: 1.8.1.14
Source :
mol_id organism_scientific expression_system
1 Staphylococcus aureus subsp. aureus  (taxid:367830) Escherichia coli  (taxid:469008)
strain: USA300
gene: cdr, SAOUHSC_00908, SAUSA300_0873
expression_system_strain: bl21(de3)
expression_system_vector_type: plasmid
expression_system_plasmid: T7, pXCDR
Authors : Wallace, B.D., Edwards, J.S., Claiborne, A., Redinbo, M.R.
Keywords : OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Exp. method : X-RAY DIFFRACTION ( 1.977 Å )
Citation :

Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.

Wallace, B.D.,Edwards, J.S.,Wallen, J.R.  et al.
(2012)  Biochemistry  51 : 7699 - 7711

PubMed: 22954034
DOI: 10.1021/bi301026c

Reaction

Chain : A, B
UniProt : Q2FIA5 (CDR_STAA3)
Reaction: EC: Evidence:
Physiological Direction:
2 CoA + NADP(+) = CoA-disulfide + H(+) + NADPH 1.8.1.14 HAMAP-Rule:MF_01608
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