Structure of the ordered hydration of amino acids in proteins: analysis of crystal structures

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F86652036%3A_____%2F15%3A00457403" target="_blank" >RIV/86652036:_____/15:00457403 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1107/S1399004715015679" target="_blank" >http://dx.doi.org/10.1107/S1399004715015679</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1107/S1399004715015679" target="_blank" >10.1107/S1399004715015679</a>

Result language

angličtina

Original language name

Structure of the ordered hydration of amino acids in proteins: analysis of crystal structures

Original language description

Crystallography provides unique information about the arrangement of water molecules near protein surfaces. Using a nonredundant set of 2818 protein crystal structures with a resolution of better than 1.8 angstrom, the extent and structure of the hydration shell of all 20 standard amino-acid residues were analyzed as function of the residue conformation, secondary structure and solvent accessibility. The results show how hydration depends on the amino-acid conformation and the environment in which it occurs. After conformational clustering of individual residues, the density distribution of water molecules was compiled and the preferred hydration sites were determined as maxima in the pseudo-electron-density representation of water distributions. Manyhydration sites interact with both main-chain and side-chain amino-acid atoms, and several occurrences of hydration sites with less canonical contacts, such as carbon-donor hydrogen bonds, OH-pi interactions and off-plane interactions wit

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

EB - Genetics and molecular biology

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

Acta Crystallographica Section D-Biological Crystalloghraphy

ISSN

1399-0047

e-ISSN

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Volume of the periodical

71

Issue of the periodical within the volume

11

Country of publishing house

GB - UNITED KINGDOM

Number of pages

25

Pages from-to

2178-2202

UT code for WoS article

000364553500003

EID of the result in the Scopus database

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