1qow

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1qow, resolution 1.06Å

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MERSACIDIN FROM BACILLUS

Overview

The crystal structure of mersacidin, a potential novel antibiotic against, methicillin- and vancomycin-resistant Staphylococcus aureus strains, has, been determined by ab initio methods. Despite all crystals being, merohedrally twinned, an accurate structural model with an R value of, 13.4% has been obtained at atomic resolution. With six molecules in the, asymmetric unit and no atom heavier than sulfur, the structure corresponds, to a protein of 120 amino acids and is the largest approximately, equal-atom unknown structure solved by direct methods. In the crystal, the, molecule assumes a compact fold different from that found by NMR in, solution. Comparison of the NCS-related molecules reveals regions of, variable flexibility. The region highly homologous to the related, antibiotic actagardine is very rigid and possibly defines an essential, building block of this class of new antibacterial substances.

About this Structure

1QOW is a Single protein structure of sequence from Bacillus sp. with MOH as ligand. Full crystallographic information is available from OCA.

Reference

Ab initio structure determination of the lantibiotic mersacidin., Schneider TR, Karcher J, Pohl E, Lubini P, Sheldrick GM, Acta Crystallogr D Biol Crystallogr. 2000 Jun;56(Pt 6):705-13. PMID:10818347

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