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Protein-protein interactions: modeling the hepatitis C virus ion channel p7.

Abstract：

:The p7 protein is a small ion-channel-forming membrane polypeptide encoded by the hepatitis C virus which consists of two transmembrane alpha-helices, TM1 and TM2, and can be blocked by long-alkyl-chain iminosugar derivatives. The length of TM1 and TM2 was estimated by employing different secondary structure prediction algorithms and is proposed to span from Ala-10 to Leu-32 for TM1 and from Trp-36 to Pro-58 for TM2. A configurational search protocol based on simulated annealing combined with short restrained molecular dynamics simulations is used in addition to protein-protein docking to investigate the packing of TM1/TM2. Full p7 oligomeric bundles were generated, and in the most plausible models serines and threonines are facing the hydrophilic pore. In these models, His-17 would be a pore-facing residue, suggesting that p7 may be sensitive to pH in respect to its function.

journal_name

J Med Chem

journal_title

Journal of medicinal chemistry

authors

Patargias G,Zitzmann N,Dwek R,Fischer WB

doi

10.1021/jm050721e

keywords:

subject

Has Abstract

pub_date

2006-01-26 00:00:00

pages

648-55

issue

2

eissn

0022-2623

issn

1520-4804

journal_volume

49

pub_type

杂志文章

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