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dc.contributor.authorXia, Zhen
dc.contributor.authorYang, Zaixing
dc.contributor.authorHuynh, Tien
dc.contributor.authorKing, Jonathan Alan
dc.contributor.authorZhou, Ruhong
dc.date.accessioned2014-07-09T14:51:18Z
dc.date.available2014-07-09T14:51:18Z
dc.date.issued2013-03
dc.date.submitted2012-11
dc.identifier.issn2045-2322
dc.identifier.urihttp://hdl.handle.net/1721.1/88229
dc.description.abstractAge-onset cataracts are believed to be expedited by the accumulation of UV-damaged human γD-crystallins in the eye lens. Here we show with molecular dynamics simulations that the stability of γD-crystallin is greatly reduced by the conversion of tryptophan to kynurenine due to UV-radiation, consistent with previous experimental evidences. Furthermore, our atomic-detailed results reveal that kynurenine attracts more waters and other polar sidechains due to its additional amino and carbonyl groups on the damaged tryptophan sidechain, thus breaching the integrity of nearby dry center regions formed by the two Greek key motifs in each domain. The damaged tryptophan residues cause large fluctuations in the Tyr-Trp-Tyr sandwich-like hydrophobic clusters, which in turn break crucial hydrogen-bonds bridging two β-strands in the Greek key motifs at the “tyrosine corner”. Our findings may provide new insights for understanding of the molecular mechanism of the initial stages of UV-induced cataractogenesis.en_US
dc.description.sponsorshipInternational Business Machines Corporation (IBM Blue Gene Program)en_US
dc.language.isoen_US
dc.publisherNature Publishing Groupen_US
dc.relation.isversionofhttp://dx.doi.org/10.1038/srep01560en_US
dc.rightsCreative Commons Attribution-NonCommercial-NoDerivs 3.0en_US
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/en_US
dc.sourceNature Publishing Groupen_US
dc.titleUV-radiation Induced Disruption of Dry-Cavities in Human γD-crystallin Results in Decreased Stability and Faster Unfoldingen_US
dc.typeArticleen_US
dc.identifier.citationXia, Zhen, Zaixing Yang, Tien Huynh, Jonathan A. King, and Ruhong Zhou. “UV-Radiation Induced Disruption of Dry-Cavities in Human γD-Crystallin Results in Decreased Stability and Faster Unfolding.” Sci. Rep. 3 (March 27, 2013).en_US
dc.contributor.departmentMassachusetts Institute of Technology. Department of Biologyen_US
dc.contributor.mitauthorKing, Jonathan Alanen_US
dc.relation.journalScientific Reportsen_US
dc.eprint.versionFinal published versionen_US
dc.type.urihttp://purl.org/eprint/type/JournalArticleen_US
eprint.statushttp://purl.org/eprint/status/PeerRevieweden_US
dspace.orderedauthorsXia, Zhen; Yang, Zaixing; Huynh, Tien; King, Jonathan A.; Zhou, Ruhongen_US
dc.identifier.orcidhttps://orcid.org/0000-0001-6174-217X
mit.licensePUBLISHER_CCen_US
mit.metadata.statusComplete


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