2j38

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Image:2j38.jpg


PDB ID 2j38

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, resolution 2.10Å
Sites:
Ligands: and
Activity: Coagulation factor Xa, with EC number 3.4.21.6
Coordinates: save as pdb, mmCIF, xml



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. 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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