Identification of specificity determining residues in enzymes using environment specific substitution tables

Details Identification of specificity determining residues in enzymes using environment specific substitution tables Identification of specificity determining residues in enzymes using environment specific substitution tables

2007-10-15

arxiv.org/abs/0710.2808v1

Biology

Quantitative Biology

Quantitative Methods

Scientific paper

Environment specific substitution tables have been used effectively for distinguishing structural and functional constraints on proteins and thereby identify their active sites (Chelliah et al. (2004)). This work explores whether a similar approach can be used to identify specificity determining residues (SDRs) responsible for cofactor dependence, substrate specificity or subtle catalytic variations. We combine structure-sequence information and functional annotation from various data sources to create structural alignments for homologous enzymes and functional partitions therein. We develop a scoring procedure to predict SDRs and assess their accuracy using information from bound specific ligands and published literature.

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