2iw4

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spinqualitylabelsall models 2iw4, resolution 2.15Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

CRYSTAL STRUCTURE OF BASILLUS SUBTILIS FAMILY II INORGANIC PYROPHOSPHATASE MUTANT, H98Q, IN COMPLEX WITH PNP

Overview

We report the first crystal structures of a family II pyrophosphatase, complexed with a substrate analogue, imidodiphosphate (PNP). These provide, new insights into the catalytic reaction mechanism of this enzyme family., We were able to capture the substrate complex both by fluoride inhibition, and by site-directed mutagenesis providing complementary snapshots of the, Michaelis complex. Structures of both the fluoride-inhibited wild type and, the H98Q variant of the PNP-Bacillus subtilis pyrophosphatase complex show, a unique trinuclear metal center. Each metal ion coordinates a terminal, oxygen on the electrophilic phosphate and a lone pair on the putative, nucleophile, thus placing it in line with the scissile bond without any, coordination by protein. The nucleophile moves further ... [(full description)]

About this Structure

2IW4 is a [Single protein] structure of sequence from [Bacillus subtilis] with FE, MG, MN, SO4, 2PN, PG4 and GOL as [ligands]. Active as [Inorganic diphosphatase], with EC number [3.6.1.1]. Structure known Active Site: AC1. Full crystallographic information is available from [OCA].

Reference

A trimetal site and substrate distortion in a family II inorganic pyrophosphatase., Fabrichniy IP, Lehtio L, Tammenkoski M, Zyryanov AB, Oksanen E, Baykov AA, Lahti R, Goldman A, J Biol Chem. 2007 Jan 12;282(2):1422-31. Epub 2006 Nov 8. PMID:17095506

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