Full metadata record
DC Field | Value | Language |
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dc.contributor.author | Chhetri, Khadka B. | - |
dc.contributor.author | Jang, Yun Hee | - |
dc.contributor.author | Lansac, Yves | - |
dc.contributor.author | Maiti, Prabal K. | - |
dc.date.accessioned | 2023-12-13T16:10:30Z | - |
dc.date.available | 2023-12-13T16:10:30Z | - |
dc.date.created | 2023-12-11 | - |
dc.date.issued | 2023-11 | - |
dc.identifier.issn | 1463-9076 | - |
dc.identifier.uri | http://hdl.handle.net/20.500.11750/46664 | - |
dc.description.abstract | Protamines, arginine-rich DNA-binding proteins, are responsible for chromatin compaction in sperm cells, but their DNA groove preference, major or minor, is not clearly identified. We herein study the DNA groove preference of a short protamine-like cationic peptide before and after phosphorylation, using all-atom molecular dynamics and umbrella sampling simulations. According to various thermodynamic and structural analyses, a peptide in its non-phosphorylated native state prefers the minor groove over the major groove, but phosphorylation of the peptide bound to the minor groove not only reduces its binding affinity but also brings a serious deformation of the minor groove, eliminating the minor-groove preference. As protamines are heavily phosphorylated before binding to DNA, we expect that the structurally disordered phosphorylated protamines would prefer major grooves to enter into DNA during spermatogenesis. © the Owner Societies 2023 | - |
dc.language | English | - |
dc.publisher | Royal Society of Chemistry | - |
dc.title | DNA groove preference shift upon phosphorylation of a protamine-like cationic peptide | - |
dc.type | Article | - |
dc.identifier.doi | 10.1039/d3cp03803c | - |
dc.identifier.wosid | 001101588900001 | - |
dc.identifier.scopusid | 2-s2.0-85176728777 | - |
dc.identifier.bibliographicCitation | Physical Chemistry Chemical Physics, v.25, no.45, pp.31335 - 31345 | - |
dc.description.isOpenAccess | FALSE | - |
dc.subject.keywordPlus | MOLECULAR-DYNAMICS | - |
dc.subject.keywordPlus | HYDROGEN-BONDS | - |
dc.subject.keywordPlus | NUCLEIC-ACID | - |
dc.subject.keywordPlus | BINDING | - |
dc.subject.keywordPlus | RECOGNITION | - |
dc.subject.keywordPlus | MINOR-GROOVE | - |
dc.subject.keywordPlus | FREE-ENERGY | - |
dc.subject.keywordPlus | PARAMETERS | - |
dc.subject.keywordPlus | COMPLEXES | - |
dc.subject.keywordPlus | CHROMATIN | - |
dc.citation.endPage | 31345 | - |
dc.citation.number | 45 | - |
dc.citation.startPage | 31335 | - |
dc.citation.title | Physical Chemistry Chemical Physics | - |
dc.citation.volume | 25 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry; Physics | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical; Physics, Atomic, Molecular & Chemical | - |
dc.type.docType | Article | - |
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