化学
氢-氘交换
结合位点
质谱法
分子
立体化学
氘
小分子
肽
生物物理学
生物化学
色谱法
量子力学
生物
物理
有机化学
作者
Alfonso Espada,Howard B. Broughton,Spencer B. Jones,Michael J. Chalmers,Jeffrey A. Dodge
标识
DOI:10.1021/acs.jmedchem.5b01693
摘要
Computational assessment of the IL-17A structure identified two distinct binding pockets, the β-hairpin pocket and the α-helix pocket. The β-hairpin pocket was hypothesized to be the site of binding for peptide macrocycles. Support for this hypothesis was obtained using HDX-MS which revealed protection to exchange only within the β-hairpin pocket. This data represents the first direct structural evidence of a small molecule binding site on IL-17A that functions to disrupt the interaction with its receptor.
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