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• W2161307257 abstract "Abstract The G‐protein‐coupled receptor (GPCR) second extracellular loop (E2) is known to play an important role in receptor structure and function. The brain cannabinoid (CB 1 ) receptor is unique in that it lacks the interloop E2 disulfide linkage to the transmembrane (TM) helical bundle, a characteristic of many GPCRs. Recent mutation studies of the CB 1 receptor, however, suggest the presence of an alternative intraloop disulfide bond between two E2 Cys residues. Considering the oxidation state of these Cys residues, we determine the molecular structures of the 17‐residue E2 in the dithiol form (E2 dithiol ) and in the disulfide form (E2 disulfide ) of the CB 1 receptor in a fully hydrated 1‐palmitoyl‐2‐oleoyl‐ sn ‐glycero‐3‐phosphocholine bilayer, using a combination of simulated annealing and molecular dynamics simulation approaches. We characterize the CB 1 receptor models with these two E2 forms, CB 1 (E2 dithiol ) and CB 1 (E2 disulfide ), by analyzing interaction energy, contact number, core crevice, and cross correlation. The results show that the distinct E2 structures interact differently with the TM helical bundle and uniquely modify the TM helical topology, suggesting that E2 of the CB 1 receptor plays a critical role in stabilizing receptor structure, regulating ligand binding, and ultimately modulating receptor activation. Further studies on the role of E2 of the CB 1 receptor are warranted, particularly comparisons of the ligand‐bound form with the present ligand‐free form. Proteins 2011. © 2010 Wiley‐Liss, Inc." @default.
• W2161307257 created "2016-06-24" @default.
• W2161307257 creator A5032961938 @default.
• W2161307257 creator A5033843012 @default.
• W2161307257 creator A5081916563 @default.
• W2161307257 date "2010-11-30" @default.
• W2161307257 modified "2023-10-18" @default.
• W2161307257 title "Distinct second extracellular loop structures of the brain cannabinoid CB1 receptor: Implication in ligand binding and receptor function" @default.
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• W2161307257 doi "https://doi.org/10.1002/prot.22907" @default.
• W2161307257 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/3058415" @default.
• W2161307257 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21120862" @default.
• W2161307257 hasPublicationYear "2010" @default.
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