Influence of ligand binding on structure and thermostability of human alpha(1)-acid glycoprotein
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388971%3A_____%2F16%3A00463165" target="_blank" >RIV/61388971:_____/16:00463165 - isvavai.cz</a>
Alternative codes found
RIV/60076658:12310/16:43890978
Result on the web
<a href="http://dx.doi.org/10.1002/jmr.2496" target="_blank" >http://dx.doi.org/10.1002/jmr.2496</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/jmr.2496" target="_blank" >10.1002/jmr.2496</a>
Alternative languages
Result language
angličtina
Original language name
Influence of ligand binding on structure and thermostability of human alpha(1)-acid glycoprotein
Original language description
Ligand binding of neutral progesterone, basic propranolol, and acidic warfarin to human alpha(1)-acid glycoprotein (AGP) was investigated by Raman spectroscopy. The binding itself is characterized by a uniform conformational shift in which a tryptophan residue is involved. Slight differences corresponding to different contacts of the individual ligands inside the beta-barrel are described. Results are compared with in silico ligand docking into the available crystal structure of deglycosylated AGP using quantum/molecular mechanics. Calculated binding energies are -18.2, -14.5, and -11.5 kcal/mol for warfarin, propranolol, and progesterone, respectively. These calculations are consistent with Raman difference spectroscopy; nevertheless, minor discrepancies in the precise positions of the ligands point to structural differences between deglycosylated and native AGP.
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
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2016
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 Molecular Recognition
ISSN
0952-3499
e-ISSN
—
Volume of the periodical
29
Issue of the periodical within the volume
2
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
70-79
UT code for WoS article
000368640400002
EID of the result in the Scopus database
2-s2.0-84955666818