2K10

Confirmational analysis of the broad-spectrum antibacterial peptide, rantuerin-2csa: identification of a full length helix-turn-helix motif

2K10 の概要

• エントリーDOI: 10.2210/pdb2k10/pdb
• NMR情報: BMRB: 15665
• 分子名称: ranatuerin-2csa (1 entity in total)
• 機能のキーワード: molecular modelling, helix-turn-helix, disulfide bond, antimicrobial peptide, antimicrobial protein
• 由来する生物種: Rana cascadae (frogs & toads)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 3255.98

構造登録者

Hewage, C.M.,Subasinghage, A.P.,Conlon, M. (登録日: 2008-02-19, 公開日: 2008-04-15, 最終更新日: 2024-10-30)

主引用文献

Subasinghage, A.P.,Conlon, J.M.,Hewage, C.M.
Conformational analysis of the broad-spectrum antibacterial peptide, ranatuerin-2CSa: Identification of a full length helix-turn-helix motif.
Biochim.Biophys.Acta, 1784:924-929, 2008

PubMed Abstract: Design of clinically valuable antibacterial agents based upon naturally occurring peptides requires the use of spectroscopic methods, particularly NMR, to determine the three-dimensional structure of the native peptide so that analogues with improved therapeutic properties can be made. Ranatuerin-2CSa (GILSSFKGVAKGVAKDLAG KLLETLKCKITGC), first isolated from skin secretions of the Cascades frog, Rana cascadae, represents a promising candidate for drug development. The peptide shows potent growth inhibitory activity against Escherichia coli (MIC=5 microM) and Staphylococcus aureus (MIC=10 microM) but displays haemolytic activity against human erythrocytes (LC(50)=160 microM). The solution structure of ranatuerin-2CSa was investigated by proton NMR spectroscopy and molecular modelling. In aqueous solution, the peptide lacks secondary structure but, in a 2,2,2-trifluoroethanol (TFE-d(3))-H(2)O solvent mixture, the structure is characterised by a full length helix-turn-helix conformation between residues I(2)-L(21), L(22)-L(25) and K(26)-T(30) respectively. This structural information will facilitate the design of novel therapeutic agents based upon the ranatuerin-2CSa structure with improved antimicrobial potencies but decreased cytolytic activities against mammalian cells.

PubMed: 18387372
DOI: 10.1016/j.bbapap.2008.02.019

実験手法

SOLUTION NMR