A 3D model of the peripheral benzodiazepine receptor and its implication in intra mitochondrial cholesterol transport

A three-dimensional (3D) model of the peripheral benzodiazepine receptor (PBR) has been built using molecular dynamics simulations. The transmembrane domain of the receptor has been modeled as five alpha-helices, which are not long enough to cross the entire bilaver membrane hut correspond approxima...

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Bibliographic Details
Published in:Journal of molecular graphics 1993-12, Vol.11 (4), p.236-244
Main Authors: Bernassau, J.M., Reversat, J.L., Ferrara, P., Caput, D., Lefur, G.
Format: Article
Language:English
Subjects:
Amino Acid Sequence
Bacteriorhodopsins - chemistry
Carrier Proteins - chemistry
Carrier Proteins - metabolism
Cholesterol - metabolism
Computer Simulation
henzodiazepine receptor
Humans
Intracellular Membranes - metabolism
Mitochondria - metabolism
Models, Molecular
molecular dynamics
Molecular Sequence Data
Pregnenolone - biosynthesis
Protein Conformation
protein modeling
Protein Structure, Secondary
Protein Structure, Tertiary
Receptors, GABA-A - chemistry
Receptors, GABA-A - metabolism
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Summary:A three-dimensional (3D) model of the peripheral benzodiazepine receptor (PBR) has been built using molecular dynamics simulations. The transmembrane domain of the receptor has been modeled as five alpha-helices, which are not long enough to cross the entire bilaver membrane hut correspond approximately to only one phospholipid layer. The receptor model has also been tested as a cholesterol carrier, and molecular dynamics simulations have shown that it could indeed accommodate a cholesterol molecule within the five helices. All three known PBR sequences have been modeled, and no significant difference has been found between them.
ISSN:0263-7855
DOI:10.1016/0263-7855(93)80003-A