Computational study of beta-N-acetylhexosaminidase from Talaromyces flavus, a glycosidase with high substrate flexibility

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12310%2F15%3A43888814" target="_blank" >RIV/60076658:12310/15:43888814 - isvavai.cz</a>

Result on the web

<a href="http://bmcbioinformatics.biomedcentral.com/articles/10.1186/s12859-015-0465-8" target="_blank" >http://bmcbioinformatics.biomedcentral.com/articles/10.1186/s12859-015-0465-8</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1186/s12859-015-0465-8" target="_blank" >10.1186/s12859-015-0465-8</a>

Result language

angličtina

Original language name

Computational study of beta-N-acetylhexosaminidase from Talaromyces flavus, a glycosidase with high substrate flexibility

Original language description

Background: beta- N- Acetylhexosaminidase (GH20) from the filamentous fungus Talaromyces flavus, previously identified as a prominent enzyme in the biosynthesis of modified glycosides, lacks a high resolution three-dimensional structure so far. Despite of high sequence identity to previously reported Aspergillus oryzae and Penicilluim oxalicum beta-N-acetylhexosaminidases, this enzyme tolerates significantly better substrate modification. Understanding of key structural features, prediction of effectivemutants and potential substrate characteristics prior to their synthesis are of general interest. Results: Computational methods including homology modeling and molecular dynamics simulations were applied to shad light on the structure-activity relationship in the enzyme. Primary sequence analysis revealed some variable regions able to influence difference in substrate affinity of hexosaminidases. Moreover, docking in combination with consequent molecular dynamics simulations of C-6 mod

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CE - Biochemistry

OECD FORD branch

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Project

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Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2015

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

BMC Bioinformatics

ISSN

1471-2105

e-ISSN

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Volume of the periodical

16

Issue of the periodical within the volume

JAN 28 2015

Country of publishing house

GB - UNITED KINGDOM

Number of pages

15

Pages from-to

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UT code for WoS article

000354554900001

EID of the result in the Scopus database

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