1h61 | pdb_00001h61
STRUCTURE OF PENTAERYTHRITOL TETRANITRATE REDUCTASE IN COMPLEX WITH PREDNISONE
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Overview
Pentaerythritol tetranitrate reductase (PETN reductase) degrades high, explosive molecules including nitrate esters, nitroaromatics and cyclic, triazine compounds. The enzyme also binds a variety of cyclic enones, including steroids; some steroids act as substrates whilst others are, inhibitors. Understanding the basis of reactivity with cyclic enones, requires structural information for the enzyme and key complexes formed, with steroid substrates and inhibitors. The crystal structure of oxidised, and reduced PETN reductase at 1.5 A resolution establishes a close, structural similarity to the beta/alpha-barrel flavoenzyme, old yellow, enzyme. In complexes of oxidised PETN reductase with progesterone (an, inhibitor), 1,4-androstadiene-3,17-dione and prednisone (both substrates), the ... [(full description)]
About this Structure
1H61 is a [Single protein] structure of sequence from [Enterobacter cloacae] with FMN and PDN as [ligands]. Full crystallographic information is available from [OCA].
Reference
Crystal structure of pentaerythritol tetranitrate reductase: "flipped" binding geometries for steroid substrates in different redox states of the enzyme., Barna TM, Khan H, Bruce NC, Barsukov I, Scrutton NS, Moody PC, J Mol Biol. 2001 Jul 6;310(2):433-47. PMID:11428899
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