1yqz

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spinqualitylabelsall models 1yqz, resolution 1.54Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

Structure of Coenzyme A-Disulfide Reductase from Staphylococcus aureus refined at 1.54 Angstrom resolution

Overview

Coenzyme A (CoASH) replaces glutathione as the major low molecular weight, thiol in Staphylococcus aureus; it is maintained in the reduced state by, coenzyme A-disulfide reductase (CoADR), a homodimeric enzyme similar to, NADH peroxidase but containing a novel Cys43-SSCoA redox center. The, crystal structure of S. aureus CoADR has been solved using multiwavelength, anomalous dispersion data and refined at a resolution of 1.54 A. The, resulting electron density maps define the Cys43-SSCoA disulfide, conformation, with Cys43-S(gamma) located at the flavin si face, 3.2 A, from FAD-C4aF, and the CoAS- moiety lying in an extended conformation, within a cleft at the dimer interface. A well-ordered chloride ion is, positioned adjacent to the Cys43-SSCoA disulfide and receives a hydrogen, bond from Tyr361'-OH of the complementary subunit, suggesting a role for, Tyr361' as an acid-base catalyst during the reduction of CoAS-disulfide., Tyr419'-OH is located 3.2 A from Tyr361'-OH as well and, based on its, conservation in known functional CoADRs, also appears to be important for, activity. Identification of residues involved in recognition of the, CoAS-disulfide substrate and in formation and stabilization of the, Cys43-SSCoA redox center has allowed development of a CoAS-binding motif., Bioinformatics analyses indicate that CoADR enzymes are broadly, distributed in both bacterial and archaeal kingdoms, suggesting an even, broader significance for the CoASH/CoAS-disulfide redox system in, prokaryotic thiol/disulfide homeostasis.

About this Structure

1YQZ is a Single protein structure of sequence from Staphylococcus aureus with MG, CL, COA and FAD as ligands. Full crystallographic information is available from OCA.

Reference

Structure of coenzyme A-disulfide reductase from Staphylococcus aureus at 1.54 A resolution., Mallett TC, Wallen JR, Karplus PA, Sakai H, Tsukihara T, Claiborne A, Biochemistry. 2006 Sep 26;45(38):11278-89. PMID:16981688

Page seeded by OCA on Wed Nov 21 06:59:49 2007