Engineering the Pseudomonas aeruginosa II lectin: designing mutants with changed affinity and specificity
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F14%3A00073859" target="_blank" >RIV/00216224:14740/14:00073859 - isvavai.cz</a>
Result on the web
<a href="http://link.springer.com/article/10.1007%2Fs10822-014-9774-7" target="_blank" >http://link.springer.com/article/10.1007%2Fs10822-014-9774-7</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s10822-014-9774-7" target="_blank" >10.1007/s10822-014-9774-7</a>
Alternative languages
Result language
angličtina
Original language name
Engineering the Pseudomonas aeruginosa II lectin: designing mutants with changed affinity and specificity
Original language description
This article focuses on designing mutations of the PA-IIL lectin from Pseudomonas aeruginosa that lead to change in specificity. Following the previous results revealing the importance of the amino acid triad 22?23?24 (so-called specificity-binding loop), saturation in silico mutagenesis was performed, with the intent of finding mutations that increase the lectin?s affinity and modify its specificity. For that purpose, a combination of docking, molecular dynamics and binding free energy calculation wasused. The combination of methods revealed mutations that changed the performance of the wild-type lectin and its mutants to their preferred partners. The mutation at position 22 resulted in 85 % in inactivation of the binding site, and the mutation at 23did not have strong effects thanks to the side chain being pointed away from the binding site.
Czech name
—
Czech description
—
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CE - Biochemistry
OECD FORD branch
—
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach
Others
Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Computer-Aided Molecular Design
ISSN
0920-654X
e-ISSN
—
Volume of the periodical
28
Issue of the periodical within the volume
9
Country of publishing house
CH - SWITZERLAND
Number of pages
10
Pages from-to
951-960
UT code for WoS article
000342439000006
EID of the result in the Scopus database
—