期刊
COMPTES RENDUS CHIMIE
卷 12, 期 8, 页码 905-910出版社
ACAD SCIENCES
DOI: 10.1016/j.crci.2008.09.022
关键词
Human odorant binding protein; Citral; Undecanal
Human Odorant Binding Protein (OBPIIa) has a strong affinity for odorants belonging to the family of aldehydes. After having built the initial structures based on the protein sequence, we have performed molecular dynamics simulations on human OBP, free and bound to citral and undecanal to examine the reasons for this affinity from a dynamic point of view. The formation of a Schiff base between a Lysine residue and the aldehyde function could be responsible for this strong affinity. To cite this article: L. Charlier et al., C R. Chimie 12 (2009). (C) 2008 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.
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