On the structural context and identification of enzyme catalytic residues.

Abstract:

:Enzymes play important roles in most of the biological processes. Although only a small fraction of residues are directly involved in catalytic reactions, these catalytic residues are the most crucial parts in enzymes. The study of the fundamental and unique features of catalytic residues benefits the understanding of enzyme functions and catalytic mechanisms. In this work, we analyze the structural context of catalytic residues based on theoretical and experimental structure flexibility. The results show that catalytic residues have distinct structural features and context. Their neighboring residues, whether sequence or structure neighbors within specific range, are usually structurally more rigid than those of noncatalytic residues. The structural context feature is combined with support vector machine to identify catalytic residues from enzyme structure. The prediction results are better or comparable to those of recent structure-based prediction methods.

journal_name

Biomed Res Int

authors

Chien YT,Huang SW

doi

10.1155/2013/802945

subject

Has Abstract

pub_date

2013-01-01 00:00:00

pages

802945

eissn

2314-6133

issn

2314-6141

journal_volume

2013

pub_type

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