Abstract：
:MHC class II molecules bind peptides derived from extracellular proteins that have been ingested by antigen-presenting cells and display them to the immune system. Peptide loading occurs within the antigen-presenting cell and is facilitated by HLA-DM. HLA-DM stabilizes the open conformation of the MHCII binding groove when no peptide is bound. While a structure of the MHCII/HLA-DM complex exists, the mechanism of stabilization is still largely unknown. Here, we applied customized Natural Move Monte Carlo to investigate this interaction. We found a possible long-range mechanism that implicates the configuration of the membrane-proximal globular domains in stabilizing the open state of the empty MHCII binding groove.
journal_name
J Chem Inf Modeljournal_title
Journal of chemical information and modelingauthors
Demharter S,Knapp B,Deane C,Minary Pdoi
10.1021/acs.jcim.9b00104subject
Has Abstractpub_date
2019-06-24 00:00:00pages
2894-2899issue
6eissn
1549-9596issn
1549-960Xjournal_volume
59pub_type
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journal_title：Journal of chemical information and modeling
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journal_title：Journal of chemical information and modeling
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doi：10.1021/acs.jcim.5b00543
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journal_title：Journal of chemical information and modeling
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doi：10.1021/acs.jcim.9b00526
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更新日期：2011-05-23 00:00:00
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journal_title：Journal of chemical information and modeling
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doi：10.1021/ci600235w
更新日期：2006-11-01 00:00:00
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journal_title：Journal of chemical information and modeling
pub_type： 杂志文章
doi：10.1021/acs.jcim.9b00735
更新日期：2019-10-28 00:00:00
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journal_title：Journal of chemical information and modeling
pub_type： 杂志文章
doi：10.1021/ci9000844
更新日期：2009-08-01 00:00:00
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journal_title：Journal of chemical information and modeling
pub_type： 杂志文章
doi：10.1021/acs.jcim.8b00518
更新日期：2018-11-26 00:00:00
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journal_title：Journal of chemical information and modeling
pub_type： 杂志文章
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journal_title：Journal of chemical information and modeling
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journal_title：Journal of chemical information and modeling
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journal_title：Journal of chemical information and modeling
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journal_title：Journal of chemical information and modeling
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journal_title：Journal of chemical information and modeling
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journal_title：Journal of chemical information and modeling
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