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

• Published in: Journal of molecular graphics Vol. 11; no. 4; p. 236
• Main Authors: Bernassau, J M, Reversat, J L, Ferrara, P, Caput, D, Lefur, G
• Format: Journal Article
• Language: English
• Published: United States 01-12-1993
• Subjects: Amino Acid Sequence; Bacteriorhodopsins - chemistry; Carrier Proteins - chemistry; Carrier Proteins - metabolism; Cholesterol - metabolism; Computer Simulation; Humans; Intracellular Membranes - metabolism; Mitochondria - metabolism; Models, Molecular; Molecular Sequence Data; Pregnenolone - biosynthesis; Protein Conformation; Protein Structure, Secondary; Protein Structure, Tertiary; Receptors, GABA-A - chemistry; Receptors, GABA-A - metabolism
• ISSN: 0263-7855
• DOI: 10.1016/0263-7855(93)80003-A

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 bilayer membrane but 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.