1w3v
From Proteopedia
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ISOPENICILLIN N SYNTHASE D-(L-A-AMINOADIPOYL)-(3R)-METHYL-L-CYSTEINE D-A-HYDROXYISOVALERYL ESTER COMPLEX (ANAEROBIC)
Overview
Isopenicillin N synthase (IPNS) is a non-heme iron(ii)-dependent oxidase, that is central to penicillin biosynthesis. Herein, we report mechanistic, studies of the IPNS reaction in the crystalline state, using the substrate, analogue delta-(L-alpha-aminoadipoyl)-(3R)-methyl-L-cysteine, D-alpha-hydroxyisovaleryl ester (AmCOV) to probe the early stages of the, catalytic cycle. The X-ray crystal structure of the anaerobic, IPNS:Fe(II):AmCOV complex was solved to 1.40 A resolution, and it reveals, several subtle differences in the active site relative to the complex of, the enzyme with its natural substrate. The crystalline IPNS:Fe(II):AmCOV, complex was then exposed to oxygen gas at high pressure; this brought, about reaction to give what appears to be a hydroxymethyl/ene-thiol, product. A ... [(full description)]
About this Structure
1W3V is a [Single protein] structure of sequence from [Emericella nidulans] with FE2 and MDZ as [ligands]. Active as [Isopenicillin-N synthase], with EC number [1.21.3.1]. Structure known Active Site: AC1. Full crystallographic information is available from [OCA].
Reference
Unexpected oxidation of a depsipeptide substrate analogue in crystalline isopenicillin N synthase., Daruzzaman A, Clifton IJ, Adlington RM, Baldwin JE, Rutledge PJ, Chembiochem. 2006 Feb;7(2):351-8. PMID:16444759
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