5gds

From Proteopedia

Revision as of 15:44, 30 October 2007

HIRUNORMS ARE TRUE HIRUDIN MIMETICS. THE CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN:HIRUNORM V COMPLEX

Overview

A novel class of synthetic, multisite-directed thrombin inhibitors, known, as hirunorms, has been described recently. These compounds were designed, to mimic the binding mode of hirudin, and they have been proven to be very, strong and selective thrombin inhibitors. Here we report the crystal, structure of the complex formed by human alpha-thrombin and hirunorm V, a, 26-residue polypeptide containing non-natural amino acids, determined at, 2.1 A resolution and refined to an R-factor of 0.176. The structure, reveals that the inhibitor binding mode is distinctive of a true hirudin, mimetic, and it highlights the molecular basis of the high inhibitory, potency (Ki is in the picomolar range) and the strong selectivity of, hirunorm V. Hirunorm V interacts through the N-terminal tetrapeptide ... [(full description)]

About this Structure

5GDS is a [Single protein] structure of sequence from [Homo sapiens] with NAG as [ligand]. Active as [Thrombin], with EC number [3.4.21.5]. Structure known Active Site: CAT. Full crystallographic information is available from [OCA].

Reference

Hirunorms are true hirudin mimetics. The crystal structure of human alpha-thrombin-hirunorm V complex., De Simone G, Lombardi A, Galdiero S, Nastri F, Della Morte R, Staiano N, Pedone C, Bolognesi M, Pavone V, Protein Sci. 1998 Feb;7(2):243-53. PMID:9521099

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