5GWG

Solution structure of rattusin

5GWG の概要

• エントリーDOI: 10.2210/pdb5gwg/pdb
• NMR情報: BMRB: 36019
• 分子名称: Defensin alpha-related sequence 1 (1 entity in total)
• 機能のキーワード: defensin antimicrobial peptide, cysteine-rich peptide, disulfide bond, antimicrobial protein
• 由来する生物種: Rattus norvegicus (Rat)
• 細胞内の位置: Secreted : Q4JEI2
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 7314.71

構造登録者

Lee, C.W.,Min, H.J. (登録日: 2016-09-11, 公開日: 2017-04-12, 最終更新日: 2023-06-14)

主引用文献

Min, H.J.,Yun, H.,Ji, S.,Rajasekaran, G.,Kim, J.I.,Kim, J.S.,Shin, S.Y.,Lee, C.W.
Rattusin structure reveals a novel defensin scaffold formed by intermolecular disulfide exchanges
Sci Rep, 7:45282-45282, 2017

PubMed Abstract: Defensin peptides are essential for innate immunity in humans and other living systems, as they provide protection against infectious pathogens and regulate the immune response. Here, we report the solution structure of rattusin (RTSN), an α-defensin-related peptide, which revealed a novel C-symmetric disulfide-linked dimeric structure. RTSN was synthesized by solid-phase peptide synthesis (SPPS) and refolded by air oxidation in vitro. Dimerization of the refolded RTSN (r-RTSN) resulted from five intermolecular disulfide (SS) bond exchanges formed by ten cysteines within two protomer chains. The SS bond pairings of r-RTSN were determined by mass analysis of peptide fragments cleaved by trypsin digestion. In addition to mass analysis, nuclear magnetic resonance (NMR) experiments for a C15S mutant and r-RTSN confirmed that the intermolecular SS bond structure of r-RTSN showed an I-V', II-IV', III-III', IV-II', V-I' arrangement. The overall structure of r-RTSN exhibited a cylindrical array, similar to that of β-sandwich folds, with a highly basic surface. Furthermore, fluorescence spectroscopy results suggest that r-RTSN exerts bactericidal activity by damaging membrane integrity. Collectively, these results provide a novel structural scaffold for designing highly potent peptide-based antibiotics suitable for use under various physiological conditions.

PubMed: 28345637
DOI: 10.1038/srep45282

実験手法

SOLUTION NMR