2j38
From Proteopedia
| Line 6: | Line 6: | ||
==Overview== | ==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. | 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:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=227600 227600]] | ||
==About this Structure== | ==About this Structure== | ||
| Line 35: | Line 38: | ||
[[Category: zymogen]] | [[Category: zymogen]] | ||
| - | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov | + | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 12 22:51:19 2007'' |
Revision as of 20:44, 12 November 2007
|
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
Page seeded by OCA on Mon Nov 12 22:51:19 2007
Categories: Coagulation factor Xa | Homo sapiens | Single protein | Chan, C. | Convery, M.A. | Senger, S. | Watson, N.S. | CA | GS5 | Blood coagulation | Calcium | Complex | Egf-like domain | Gamma- carboxyglutamic acid | Gamma-carboxyglutamic acid | Glycoprotein | Hydrolase | Hydroxylation | Polymorphism | Protease | Serine protease | Zymogen
