1c14

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Revision as of 09:57, 20 November 2007

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spinqualitylabelsall models 1c14, resolution 2.0Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

CRYSTAL STRUCTURE OF E COLI ENOYL REDUCTASE-NAD+-TRICLOSAN COMPLEX

Overview

The crystal structure of the Escherichia coli enoyl, reductase-NAD+-triclosan complex has been determined at 2.5 A resolution., The Ile192-Ser198 loop is either disordered or in an open conformation in, the previously reported structures of the enzyme. This loop adopts a, closed conformation in our structure, forming van der Waals interactions, with the inhibitor and hydrogen bonds with the bound NAD+ cofactor. The, opening and closing of this flipping loop is likely an important factor in, substrate or ligand recognition. The closed conformation of the loop, appears to be a critical feature for the enhanced binding potency of, triclosan, and a key component in future structure-based inhibitor design.

About this Structure

1C14 is a Single protein structure of sequence from Escherichia coli with NAD and TCL as ligands. Active as [acyl-carrier-protein_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number 1.3.1.9 Full crystallographic information is available from OCA.

Reference

Molecular basis for triclosan activity involves a flipping loop in the active site., Qiu X, Janson CA, Court RI, Smyth MG, Payne DJ, Abdel-Meguid SS, Protein Sci. 1999 Nov;8(11):2529-32. PMID:10595560 [[Category: Enoyl-[acyl-carrier-protein] reductase (NADH)]]

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