2c57

From Proteopedia

Revision as of 15:53, 5 November 2007

H.PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH FA1

Overview

The crystal structures of the type II dehydroquinase (DHQase) from, Helicobacter pylori in complex with three competitive inhibitors have been, determined. The inhibitors are the substrate analogue 2,3-anhydroquinate, (FA1), citrate, and an oxoxanthene sulfonamide derivative (AH9095)., Despite the very different chemical nature of the inhibitors, in each case, the primary point of interaction with the enzyme is via the residues that, bind the C1 functionalities of the substrate, 3-dehydroquinate, i.e., N76, H102, I103, and H104. The DHQase/AH9095 complex crystal structure shows, that sulfonamides can form a scaffold for nonsubstrate-like inhibitors and, identifies a large conserved hydrophobic patch at the entrance to the, active site as a locus that can be exploited in the development of new, ligands.

About this Structure

2C57 is a Single protein structure of sequence from Helicobacter pylori with FA1 as ligand. Active as 3-dehydroquinate dehydratase, with EC number 4.2.1.10 Structure known Active Site: AC1. Full crystallographic information is available from OCA.

Reference

Crystal structures of Helicobacter pylori type II dehydroquinase inhibitor complexes: new directions for inhibitor design., Robinson DA, Stewart KA, Price NC, Chalk PA, Coggins JR, Lapthorn AJ, J Med Chem. 2006 Feb 23;49(4):1282-90. PMID:16480265

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