Dynamic Characteristics of a Peptide-Binding Groove of Human HLA-A2 Class I MHC Molecules : Normal Mode Analysis of the Antigen Peptide-Class I MHC Complex
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概要
- 論文の詳細を見る
Class I major histocompatibility complex (MHC) binds antigen peptides with various sequences. We performed a normal mode analysis of HLA-A2 MHC that binds three peptides with different affinity. HLA-A2 MHC has a peptide-binding groove composed of two α-helices (residue 49-84, residue 140-179). Some residues in the center of the groove showed an increase in fluctuations and some residue pairs between two helix groups showed a negative change in correlations by removing the antigen peptide. The extent of the fluctuation and correlation changes correlated well with the experimental ranking of the three peptides in binding affinity. Some definite anti-correlative motions were found between two helix groups in low frequency modes (<50 cm^<-1>) by removing the antigen peptide. We propose that the above anti-correlative motions play an important role to bind the antigen peptide, especially in obtaining a "dynamic fit."
- 社団法人日本薬学会の論文
- 2002-09-01
著者
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Umeyama Hideaki
School of Pharmacy, Kitasato University
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Takeda-Shitaka Mayuko
School of Pharmacy, Kitasato University
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Takeda‐shitaka M
School Of Pharmaceutical Sciences Kitasato University
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Takeda-shitaka Mayuko
School Of Pharmaceutical Sciences Kitasato University
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Takeda-shitaka Mayuko
School Of Pharmacy Kitasato University
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NOJIMA Hiroyuki
School of Pharmaceutical Sciences, Kitasato University
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KAMIYA Kenshu
School of Science, Kitasato University
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Kurihara Youji
School of Pharmaceutical Sciences, Kitasato University
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ADACHI Masaaki
School of Pharmaceutical Sciences, Kitasato University
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YONEDA Shigetaka
School of Science, Kitasato University
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Kamiya Kohei
Dep. Of Pharmacognosy And Natural Product Chemistry Fac. Of Pharmaceutical Sciences Kobe Gakuin Univ
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Kamiya Kohei
Department Of Pharmacognosy And Natural Product Chemistry Faculty Of Pharmaceutical Sciences Kobe Ga
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Kurihara Y
School Of Pharmaceutical Sciences Kitasato University
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Adachi Masaaki
Material Science Laboratory Faculty Of Technology Kanazawa University
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Adachi M
School Of Pharmaceutical Sciences Kitasato University
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Kamiya Kohei
Dep. Of Pharmacognosy And Natural Product Chemistry School Of Pharmaceutical Sciences Kobe Gakuin Un
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Kamiya Kenshu
School Of Science Kitasato University
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Umeyama Hideaki
Dep. Of Biomolecular Design School Of Pharmaceutical Sciences Kitasato Univ.
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Umeyama Hideaki
School Of Pharmaceutical Sciences Kitasato University
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Yoneda Shigetaka
School Of Science Kitasato University
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Kurihara Youji
School Of Pharmaceutical Sciences Kitasato University
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Adachi Masaaki
School Of Pharmaceutical Sciences Kitasato University
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Yoneda S
School Of Science Kitasato University
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