title: A 3D model of the peripheral benzodiazepine receptor and its implication in intra mitochondrial cholesterol transport.
abstract: 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.
authors.affiliation: Sanofi Recherche, Montpellier, France.
authors.forename: J M
authors.initials: JM
authors.lastname: Bernassau
authors.forename: J L
authors.initials: JL
authors.lastname: Reversat
authors.forename: P
authors.initials: P
authors.lastname: Ferrara
authors.forename: D
authors.initials: D
authors.lastname: Caput
authors.forename: G
authors.initials: G
authors.lastname: Lefur
mesh_terms: D000595:Amino Acid Sequence; D001436:Bacteriorhodopsins / Q000737:chemistry; D002352:Carrier Proteins / Q000737:chemistry / Q000378:metabolism; D002784:Cholesterol / Q000378:metabolism*; D003198:Computer Simulation; D006801:Humans; D007425:Intracellular Membranes / Q000378:metabolism; D008928:Mitochondria / Q000378:metabolism*; D008958:Models, Molecular; D008969:Molecular Sequence Data; D011284:Pregnenolone / Q000096:biosynthesis; D011487:Protein Conformation; D017433:Protein Structure, Secondary; D017434:Protein Structure, Tertiary; D011963:Receptors, GABA-A / Q000737:chemistry* / Q000378:metabolism
chemical_list: D002352:Carrier Proteins; D011963:Receptors, GABA-A; D001436:Bacteriorhodopsins; D011284:Pregnenolone; D002784:Cholesterol