NDLI: Automated method for predicting enzyme functional surfaces and locating key residues with accuracy and specificity

Content Provider	IEEE Xplore Digital Library
Author	Yan Yuan Tseng Jie Liang
Copyright Year	2006
Description	Author affiliation: Dept. of Bioeng., Illinois Univ., Chicago, IL (Yan Yuan Tseng; Jie Liang)
Abstract	Locating functionally important protein surfaces and identifying the catalytic site residues are critical for studying enzyme functions. Here, we present methods for predicting and characterizing catalytic sites of enzymes at atomic level that is fold-independent. By extract atomic patterns of catalytic residues in surface pockets computed geometrically, we develop a library of atomic patterns on protein functional surfaces of ca 700 structures. Together with propensities of secondary structures and residue occurrence in active sites, we develop methods to identify functionally important surfaces on protein structures and to locate key residues. We discuss application of our methods to amylase, dioxygenase, deaminase, dehalogenase, and hydratase. A large scale cross-validated prediction study shows that our method is sensitive and specific
Sponsorship	IEEE EMB
Starting Page	4552
Ending Page	4555
File Size	767211
Page Count	4
File Format	PDF
ISBN	1424400325
ISSN	1557170X
DOI	10.1109/IEMBS.2006.259540
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2006-08-30
Publisher Place	USA
Access Restriction	Subscribed
Rights Holder	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subject Keyword	Biochemistry Amino acids Protein engineering Large-scale systems Sequences Biological system modeling Cities and towns USA Councils Libraries Databases
Content Type	Text
Resource Type	Article
Subject	Signal Processing Biomedical Engineering Health Informatics Computer Vision and Pattern Recognition

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3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
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