2ATG

NMR structure of Retrocyclin-2 in SDS

2ATG の概要

• エントリーDOI: 10.2210/pdb2atg/pdb
• NMR情報: BMRB: 6815
• 分子名称: Retrocyclin-2 (1 entity in total)
• 機能のキーワード: beta-sheet, circular peptide, laddered disulfide connectivity, antiviral protein
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 2046.63

構造登録者

Daly, N.L.,Chen, Y.K.,Rosengren, K.J.,Marx, U.C.,Phillips, M.L.,Waring, A.J.,Wang, W.,Lehrer, R.I.,Craik, D.J. (登録日: 2005-08-24, 公開日: 2005-09-06, 最終更新日: 2024-11-13)

主引用文献

Daly, N.L.,Chen, Y.K.,Rosengren, K.J.,Marx, U.C.,Phillips, M.L.,Waring, A.J.,Wang, W.,Lehrer, R.I.,Craik, D.J.
Retrocyclin-2: structural analysis of a potent anti-HIV theta-defensin
Biochemistry, 46:9920-9928, 2007

PubMed Abstract: Retrocyclins are circular mini-defensins with significant potential as agents against human immunodeficiency virus, influenza A, and herpes simplex virus. Retrocyclins bind carbohydrate-containing surface molecules such as gp120 and CD4 with high affinity (Kd, 10-100 nM), promoting their localization on cell membranes. The structural features important for activity have yet to be fully elucidated, but here, we have determined the first three-dimensional structure of a retrocyclin, namely, one of the most potent forms, retrocyclin-2. In the presence of SDS micelles, a well-defined beta-hairpin braced by three disulfide bonds that defines the cystine ladder motif is present. By contrast, a well-defined structure could not be determined in aqueous solution, suggesting that the presence of SDS micelles stabilizes the extended conformation of retrocyclin-2. Translational diffusion measurements indicate that retrocyclin-2 interacts with the SDS micelles, and such a membrane-like interaction may be an important feature in the mechanism of action of these antimicrobial peptides. Analytical ultracentrifugation and the NMR data indicated that retrocyclin-2 self-associates to form a trimer in a concentration-dependent manner. The ability to self-associate may contribute to the high-affinity binding of retrocyclins for glycoproteins by increasing the valency and enhancing the ability of retrocyclins to cross-link cell surface glycoproteins.

PubMed: 17685559
DOI: 10.1021/bi700720e

実験手法

SOLUTION NMR