Show simple item record

dc.creatorAndrić, Jelena M.
dc.creatorStanković, Ivana
dc.creatorZarić, Snežana D.
dc.date.accessioned2020-05-11T16:30:14Z
dc.date.available2020-05-11T16:30:14Z
dc.date.issued2019
dc.identifier.issn2052-5206
dc.identifier.urihttp://cherry.chem.bg.ac.rs/handle/123456789/3675
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/3521
dc.description.abstractThe interactions of nucleic acid bases with non-coordinated and coordinated water molecules were studied by analyzing data in the Protein Data Bank (PDB) and by quantum chemical calculations. The analysis of the data in the crystal structures from the PDB indicates that hydrogen bonds involving oxygen or nitrogen atoms of nucleic acid bases and water molecules are shorter when water is bonded to a metal ion. These results are in agreement with the quantum chemical calculations on geometries and interaction energies of hydrogen bonds; the calculations on model systems show that hydrogen bonds of nucleic acid bases with water bonded to a metal ion are stronger than hydrogen bonds with non-coordinated water. These calculated values are similar to the strength of hydrogen bonds between nucleic acid bases. The results presented in this paper may be relevant to understand the role of water molecules and metal ions in the process of replication and stabilization of nucleic acids and also to understand the possible toxicity of metal ion interactions with nucleic acids.en
dc.publisherInternational Union of Crystallography
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172065/RS//
dc.rightsrestrictedAccess
dc.sourceActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials
dc.subjectCoordinated water
dc.subjectCrystal structures
dc.subjectHydrogen bonds
dc.subjectMetal ion
dc.subjectNucleic acid bases
dc.titleBinding of metal ions and water molecules to nucleic acid bases: The influence of water molecule coordination to a metal ion on water–nucleic acid base hydrogen bondsen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractAндрић, Јелена М.; Зарић, Снежана Д.; Станковић, Ивана;
dc.citation.volume75
dc.citation.spage301
dc.citation.epage309
dc.citation.rankaM21~
dc.identifier.doi10.1107/S2052520619001999
dc.identifier.scopus2-s2.0-85066938589
dc.identifier.wos000470735800003
dc.type.versionpublishedVersion


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record