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1hdt

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{{STRUCTURE_1hdt| PDB=1hdt | SCENE= }}
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'''STRUCTURE OF A RETRO-BINDING PEPTIDE INHIBITOR COMPLEXED WITH HUMAN ALPHA-THROMBIN'''
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===STRUCTURE OF A RETRO-BINDING PEPTIDE INHIBITOR COMPLEXED WITH HUMAN ALPHA-THROMBIN===
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==Overview==
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The crystallographic structure of the ternary complex between human alpha-thrombin, hirugen and the peptidyl inhibitor Phe-alloThr-Phe-O-CH3, which is acylated at its N terminus with 4-guanidino butanoic acid (BMS-183507), has been determined at 2.6 A resolution. The structure reveals a unique "retro-binding" mode for this tripeptide active site inhibitor. The inhibitor binds with its alkyl-guanidine moiety in the primary specificity pocket and its two phenyl rings occupying the hydrophobic proximal and distal pockets of the thrombin active site. In this arrangement the backbone of the tripeptide forms a parallel beta-strand to the thrombin main-chain at the binding site. This is opposite to the orientation of the natural substrate, fibrinogen, and all the small active site-directed thrombin inhibitors whose bound structures have been previously reported. BMS-183507 is the first synthetic inhibitor proved to bind in a retro-binding fashion to thrombin, in a fashion similar to that of the N-terminal residues of the natural inhibitor hirudin. Furthermore, this new potent thrombin inhibitor (Ki = 17.2 nM) is selective for thrombin over other serine proteases tested and may be a template to be considered in designing hirudin-based thrombin inhibitors with interactions at the specificity pocket.
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(as it appears on PubMed at http://www.pubmed.gov), where 7853394 is the PubMed ID number.
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{{ABSTRACT_PUBMED_7853394}}
==About this Structure==
==About this Structure==
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[[Category: Sack, J.]]
[[Category: Sack, J.]]
[[Category: Tabernero, L.]]
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Revision as of 05:03, 1 July 2008

Image:1hdt.png

Template:STRUCTURE 1hdt

STRUCTURE OF A RETRO-BINDING PEPTIDE INHIBITOR COMPLEXED WITH HUMAN ALPHA-THROMBIN

Template:ABSTRACT PUBMED 7853394

About this Structure

1HDT is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Structure of a retro-binding peptide inhibitor complexed with human alpha-thrombin., Tabernero L, Chang CY, Ohringer SL, Lau WF, Iwanowicz EJ, Han WC, Wang TC, Seiler SM, Roberts DG, Sack JS, J Mol Biol. 1995 Feb 10;246(1):14-20. PMID:7853394

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