Rad5 HIRAN domain: Structural insights into its interaction with ssDNA through molecular modeling approaches Article Swipe
Bruno Marques Silva
,
Lucianna Helene Santos
,
João Paulo P. de Almeida
,
Mariana T. Q. de Magalhães
·
YOU?
·
· 2022
· Open Access
·
· DOI: https://doi.org/10.1080/07391102.2022.2045222
YOU?
·
· 2022
· Open Access
·
· DOI: https://doi.org/10.1080/07391102.2022.2045222
The Rad5 protein is an SWI/SNF family ubiquitin ligase that contains an N-terminal HIRAN domain and a RING C3HC4 motif. The HIRAN domain is critical for recognition of the stalled replication fork during the replication process and acts as a sensor to initiate the damaged DNA checkpoint. It is a conserved domain widely distributed in eukaryotic organisms and is present in several DNA-binding proteins from all kingdoms. Here we showed that distant species have important differences in key residues that affect affinity for ssDNA. Based on these findings, we hypothesized that different HIRAN domains might affect fork reversal and translesion synthesis through different metabolic processes. To address this question, we predicted the tertiary structure of both yeast and human HIRAN domains using molecular modeling. Structural dynamics experiments showed that the yeast HIRAN domain exhibited higher structural denaturation than its human homolog, although both domains became stable in the presence of ssDNA. Analysis of atomic contacts revealed that a greater number of interactions between the ssDNA nucleotides and the Rad5 domain are electrostatic. Taken together, these results provide new insights into the molecular mechanism of the HIRAN domain of Rad5 and may guide us to further elucidate differences in the ancient eukaryotes HIRAN sequences and their DNA affinity. Communicated by Ramaswamy H. Sarma
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- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1080/07391102.2022.2045222
- OA Status
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- Cited By
- 3
- References
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- OpenAlex ID
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https://doi.org/10.1080/07391102.2022.2045222Digital Object Identifier
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Rad5 HIRAN domain: Structural insights into its interaction with ssDNA through molecular modeling approachesWork title
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articleOpenAlex work type
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enPrimary language
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2022Year of publication
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2022-03-07Full publication date if available
- Authors
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Bruno Marques Silva, Lucianna Helene Santos, João Paulo P. de Almeida, Mariana T. Q. de MagalhãesList of authors in order
- Landing page
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https://doi.org/10.1080/07391102.2022.2045222Publisher landing page
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YesWhether a free full text is available
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greenOpen access status per OpenAlex
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https://figshare.com/articles/dataset/Rad5_HIRAN_domain_Structural_insights_into_its_interaction_with_ssDNA_through_molecular_modeling_approaches/19316522Direct OA link when available
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Domain (mathematical analysis), Computational biology, Chemistry, Molecular dynamics, Biophysics, Biology, Computational chemistry, Mathematics, Mathematical analysisTop concepts (fields/topics) attached by OpenAlex
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3Total citation count in OpenAlex
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2024: 3Per-year citation counts (last 5 years)
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10Other works algorithmically related by OpenAlex
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