4.4 Article

Fold prediction and comparative modeling of Bdm1:: a probable α/β hydrolase associated with hot water epilepsy

期刊

JOURNAL OF MOLECULAR MODELING
卷 9, 期 1, 页码 3-8

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SPRINGER-VERLAG
DOI: 10.1007/s00894-002-0102-0

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alpha/beta hydrolases; kindling; function prediction; homology modeling; distant relationships; homocysteine

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Hot water epilepsy (HWE) is a benign and rare form of reflex epilepsy that occurs most commonly in humans. Bdm1 is one of the proteins whose mRNA transcript is overexpressed during HWE in a rat model. We show, by sequence analysis and fold recognition methods, that Bdm1 has strong structural similarities to alpha/beta hydrolases like the thioesterases. A three-dimensional model derived by comparative modeling methods allowed the search for catalytic residues using a flexible functional template characteristic of these enzymes. We predict that Bdm1 might be regulated by homocysteine levels by means of direct participation in degradation pathways.

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