1us0

From Proteopedia

Revision as of 11:50, 30 October 2007

HUMAN ALDOSE REDUCTASE IN COMPLEX WITH NADP+ AND THE INHIBITOR IDD594 AT 0.66 ANGSTROM

Overview

The first subatomic resolution structure of a 36 kDa protein [aldose, reductase (AR)] is presented. AR was cocrystallized at pH 5.0 with its, cofactor NADP+ and inhibitor IDD 594, a therapeutic candidate for the, treatment of diabetic complications. X-ray diffraction data were collected, up to 0.62 A resolution and treated up to 0.66 A resolution. Anisotropic, refinement followed by a blocked matrix inversion produced low standard, deviations (<0.005 A). The model was very well ordered overall (CA atoms', mean B factor is 5.5 A2). The model and the electron-density maps revealed, fine features, such as H-atoms, bond densities, and significant deviations, from standard stereochemistry. Other features, such as networks of, hydrogen bonds (H bonds), a large number of multiple ... [(full description)]

About this Structure

1US0 is a [Single protein] structure of sequence from [Homo sapiens] with NDP, LDT and CIT as [ligands]. Active as [Aldehyde reductase], with EC number [1.1.1.21]. Structure known Active Site: CT1. Full crystallographic information is available from [OCA].

Reference

Ultrahigh resolution drug design I: details of interactions in human aldose reductase-inhibitor complex at 0.66 A., Howard EI, Sanishvili R, Cachau RE, Mitschler A, Chevrier B, Barth P, Lamour V, Van Zandt M, Sibley E, Bon C, Moras D, Schneider TR, Joachimiak A, Podjarny A, Proteins. 2004 Jun 1;55(4):792-804. PMID:15146478

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