NDLI: Dynamics of heme complexed with human serum albumin: a theoretical approach

Content Provider	Springer Nature Link
Author	Guizado, T. R. Cuya Louro, S. R. W. Anteneodo, C.
Copyright Year	2012
Abstract	Human serum albumin (HSA) is the most abundant protein in the blood serum. It binds several ligands and has an especially strong affinity for heme, hence becoming a natural candidate for oxygen transport. In order to analyze the interaction of HSA-heme, molecular dynamics simulations of HSA with bound heme were performed. Based on the results of X-ray diffraction, the binding site of the heme, localized in subdomain IB, was considered. We analyzed the fluctuations and their correlations along trajectories to detect collective motions. The role of H bonds and salt bridges in the stabilization of heme in its pocket was also investigated. Complementarily, the localization of water molecules in the hydrophobic pocket and the interaction with heme were discussed.
Starting Page	1033
Ending Page	1042
Page Count	10
File Format	PDF
ISSN	01757571
Journal	European Biophysics Journal
Volume Number	41
Issue Number	12
e-ISSN	14321017
Language	English
Publisher	Springer-Verlag
Publisher Date	2012-10-27
Publisher Place	Berlin, Heidelberg
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Human serum albumin Heme Molecular dynamics Intermolecular surface contact Molecular latch Collective motions Artificial blood Spatial distribution function Neurobiology Biophysics and Biological Physics Biochemistry Cell Biology Nanotechnology Membrane Biology
Content Type	Text
Resource Type	Article
Subject	Medicine Biophysics

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