Show simple item record

dc.creatorDragelj, Jovan Lj
dc.creatorStanković, Ivana
dc.creatorBozinovski, Dragana M
dc.creatorMeyer, Tim
dc.creatorVeljković, Dušan
dc.creatorMedaković, Vesna
dc.creatorKnapp, Ernst-Walter
dc.creatorZarić, Snežana D.
dc.date.accessioned2019-01-30T17:52:07Z
dc.date.available2019-01-30T17:52:07Z
dc.date.issued2016
dc.identifier.issn1528-7483
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/2035
dc.description.abstractC-H/O interactions of aromatic C-H donors within proteins have been studied by analyzing the data in the Protein Data Bank (PDB). The C-H/O interactions were studied between aromatic donors; phenylalanine, tyrosine, and tryptophan and the acceptors; alcohol, backbone amide, and side-chain amide groups. The analysis of the C-H-O angle indicates that protein C-H donors do not show a preference for linear contacts. Although there is no tendency for linear C-H/O interactions, there are only around 3% of bifurcated C-H/O interactions. Furthermore, the analyses of the C-H/O interactions indicate an influence of simultaneous classical hydrogen bonds, especially for the tyrosine systems. The calculated electrostatic potential maps for model systems can explain the results of the crystallographic analysis. These results can be important for recognizing the C-H/O interaction of aromatic rings in the crystal structures of proteic systems.en
dc.publisherAmer Chemical Soc, Washington
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172065/RS//
dc.relationDAAD
dc.rightsrestrictedAccess
dc.sourceCrystal Growth & Design
dc.titleC-H/O Interactions of Aromatic CH Donors within Proteins: A Crystallographic Studyen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractМедаковиц, Весна Б; Кнапп, Ернст-Wалтер; Меyер, Тим; Вељковиц, Дусан З; Станковић, Ивана; Драгељ, Јован Љ; Бозиновски, Драгана М; Зарић, Снежана Д.;
dc.citation.volume16
dc.citation.issue4
dc.citation.spage1948
dc.citation.epage1957
dc.citation.other16(4): 1948-1957
dc.citation.rankaM21
dc.identifier.doi10.1021/acs.cgd.5b01543
dc.identifier.rcubConv_3514
dc.identifier.scopus2-s2.0-84964663599
dc.identifier.wos000373747700022
dc.type.versionpublishedVersion


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record