1vyr: Difference between revisions
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Revision as of 10:52, 30 October 2007
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STUCTURE OF PENTAERYTHRITOL TETRANIRATE REDUCTASE COMPLEXED WITH PICRIC ACID
OverviewOverview
The structure of pentaerythritol tetranitrate (PETN) reductase in complex, with the nitroaromatic substrate picric acid determined previously at 1.55, A resolution indicated additional electron density between the indole ring, of residue Trp-102 and the nitro group at C-6 of picrate. The data, suggested the presence of an unusual bond between substrate and the, tryptophan side chain. Herein, we have extended the resolution of the PETN, reductase-picric acid complex to 0.9 A. This high-resolution analysis, indicates that the active site is partially occupied with picric acid and, that the anomalous density seen in the original study is attributed to the, population of multiple conformational states of Trp-102 and not a formal, covalent bond between the indole ring of Trp-102 and picric ... [(full description)]
About this StructureAbout this Structure
1VYR is a [Single protein] structure of sequence from [Enterobacter cloacae] with FMN and TNF as [ligands]. Structure known Active Site: AC1. Full crystallographic information is available from [OCA].
ReferenceReference
Atomic resolution structures and solution behavior of enzyme-substrate complexes of Enterobacter cloacae PB2 pentaerythritol tetranitrate reductase. Multiple conformational states and implications for the mechanism of nitroaromatic explosive degradation., Khan H, Barna T, Harris RJ, Bruce NC, Barsukov I, Munro AW, Moody PC, Scrutton NS, J Biol Chem. 2004 Jul 16;279(29):30563-72. Epub 2004 May 5. PMID:15128738
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