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Three hydrolases and a transferase: comparative analysis of active-site dynamics via the BioSimGrid database.

Abstract:

Comparative molecular dynamics (MD) simulations enable us to explore the conformational dynamics of the active sites of distantly related enzymes. We have used the BioSimGrid (http://www.biosimgrid.org) database to facilitate such a comparison. Simulations of four enzymes were analyzed. These included three hydrolases and a transferase, namely acetylcholinesterase, outer-membrane phospholipase A, outer-membrane protease T, and PagP (an outer-membrane enzyme which transfers a palmitate chain f...

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Publication status:
Published

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Publisher copy:
10.1016/j.jmgm.2006.08.010

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Journal:
Journal of molecular graphics and modelling
Volume:
25
Issue:
6
Pages:
896-902
Publication date:
2007-03-05
DOI:
EISSN:
1873-4243
ISSN:
1093-3263
URN:
uuid:3e02248b-0098-43a9-892c-207e8d3aac98
Source identifiers:
100873
Local pid:
pubs:100873

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