2j5m

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Revision as of 15:59, 29 October 2007

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spinqualitylabelsall models 2j5m, resolution 1.75Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

STRUCTURE OF CHLOROPEROXIDASE COMPOUND 0

Overview

We have determined the crystal structure of the chloroperoxidase (CPO), hydroperoxo reaction intermediate (CPO compound 0) at 1.75-A resolution., The intermediate was generated through controlled photoreduction of the, CPO oxygen complex during x-ray data collection, which was monitored by, recording of the crystal absorption spectra. Initially, the peroxo-anion, species was formed and then protonated to yield compound 0. Quantum, chemical calculations indicate that the peroxo-anion species is not stable, and collapses instantaneously to compound 0. Compound 0 is present in the, ferric low-spin doublet ground state and is characterized by a long O O, bond length of 1.5 A and a Fe O bond distance of 1.8 A, which is also, observed in the crystal structure.

About this Structure

2J5M is a [Single protein] structure of sequence from [Leptoxyphium fumago] with NAG, MAN, MN, ACT, HEM, PEO and EDO as [ligands]. Active as [[1]], with EC number [1.11.1.10]. Full crystallographic information is available from [OCA].

Reference

Structure and quantum chemical characterization of chloroperoxidase compound 0, a common reaction intermediate of diverse heme enzymes., Kuhnel K, Derat E, Terner J, Shaik S, Schlichting I, Proc Natl Acad Sci U S A. 2007 Jan 2;104(1):99-104. Epub 2006 Dec 26. PMID:17190816

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