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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 32, Number 9
BKCSDE 32(9)
September 20, 2011 

Solution State Structure of pA1, the Mimotopic Peptide of Apolipoprotein A-I, by NMR Spectroscopy
Hyojoon Kim, Hoshik Won*
Apolipoprotein A-I, NMR spectroscopy, Molecular dynamic computation
Apolipoprotein A-I (Apo A-I) is a major component for high density lipoproteins (HDL). A number of mimetic peptides of Apo A-I were screened from the phase-displayed random peptide library by utilizing monoclonal antibodies (A12). Mimetic peptide for A12 epitope against Apo A-I was selected as CPFARLPVEHHDVVGL (pA1). From the BLAST search, the mimetic peptide pA1 had 40% homology with Apo A-I. As a result of the structural determination of this mimotope using homo/hetero nuclear 2D-NMR techniques and NMR-based distance geometry (DG)/molecular dynamic (MD) computations, DG structure had low penalty value of 0.3- 0.7 Å2 and the total RMSD was 0.6-1.6 Å. The mimotope pA1 exhibited characteristic conformation including a β-turn from Pro[7] to His[11].
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