Predicting flavin and nicotinamide adenine dinucleotide-binding sites in proteins using the fragment transformation method.

Abstract:

:We developed a computational method to identify NAD- and FAD-binding sites in proteins. First, we extracted from the Protein Data Bank structures of proteins that bind to at least one of these ligands. NAD-/FAD-binding residue templates were then constructed by identifying binding residues through the ligand-binding database BioLiP. The fragment transformation method was used to identify structures within query proteins that resembled the ligand-binding templates. By comparing residue types and their relative spatial positions, potential binding sites were identified and a ligand-binding potential for each residue was calculated. Setting the false positive rate at 5%, our method predicted NAD- and FAD-binding sites at true positive rates of 67.1% and 68.4%, respectively. Our method provides excellent results for identifying FAD- and NAD-binding sites in proteins, and the most important is that the requirement of conservation of residue types and local structures in the FAD- and NAD-binding sites can be verified.

journal_name

Biomed Res Int

authors

Lu CH,Yu CS,Lin YF,Chen JY

doi

10.1155/2015/402536

subject

Has Abstract

pub_date

2015-01-01 00:00:00

pages

402536

eissn

2314-6133

issn

2314-6141

journal_volume

2015

pub_type

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