4nec | pdb_00004nec

Conversion of a Disulfide Bond into a Thioacetal Group during Echinomycin Biosynthesis

spinqualitylabelsall models 4nec, resolution 1.50Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4nec is a 8 chain structure with sequence from 'streptomyces lasaliensis'. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 15P, ACT, NA, PGE, QUI, SAH NonStd Res: DSN, MVA, N2C, NCY Gene: ecm18 ('Streptomyces lasaliensis') Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed Echinomycin is a nonribosomal depsipeptide natural product with a range of interesting bioactivities that make it an important target for drug discovery and development. It contains a thioacetal bridge, a unique chemical motif derived from the disulfide bond of its precursor antibiotic triostin A by the action of an S-adenosyl-L-methionine-dependent methyltransferase, Ecm18. The crystal structure of Ecm18 in complex with its reaction products S-adenosyl-L-homocysteine and echinomycin was determined at 1.50 A resolution. Phasing was achieved using a new molecular replacement package called AMPLE, which automatically derives search models from structure predictions based on ab initio protein modelling. Structural analysis indicates that a combination of proximity effects, medium effects, and catalysis by strain drives the unique transformation of the disulfide bond into the thioacetal linkage. Conversion of a Disulfide Bond into a Thioacetal Group during Echinomycin Biosynthesis.,Hotta K, Keegan RM, Ranganathan S, Fang M, Bibby J, Winn MD, Sato M, Lian M, Watanabe K, Rigden DJ, Kim CY Angew Chem Int Ed Engl. 2013 Dec 2. doi: 10.1002/anie.201307404. PMID:24302672 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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