2j38

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Image:2j38.gif

2j38, resolution 2.10Å

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CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX

Contents

Overview

Torsional scans of sulfonamide S-C bonds in small model systems of a, series of arylsulfonamide factor Xa inhibitors were performed in order to, investigate if conformational effects can help to rationalise the observed, SAR. Computational results were in good agreement with the experimental, data indicating that the sulfonamide conformation plays an important role, in determining the activity in this particular series of factor Xa, inhibitors.

Disease

Known disease associated with this structure: Factor X deficiency OMIM:[227600]

About this Structure

2J38 is a Single protein structure of sequence from Homo sapiens with CA and GS5 as ligands. Active as Coagulation factor Xa, with EC number 3.4.21.6 Structure known Active Site: AC1. Full crystallographic information is available from OCA.

Reference

Arylsulfonamides: a study of the relationship between activity and conformational preferences for a series of factor Xa inhibitors., Senger S, Convery MA, Chan C, Watson NS, Bioorg Med Chem Lett. 2006 Nov 15;16(22):5731-5. Epub 2006 Sep 18. PMID:16982192

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