Structural dynamics of HIV-1 envelope Gp120 outer domain with V3 loop.

ABSTRACT:

Background

The net charge of the hypervariable V3 loop on the HIV-1 envelope gp120 outer domain plays a key role in modulating viral phenotype. However, the molecular mechanisms underlying the modulation remain poorly understood.

Methodology/principal findings

By combining computational and experimental approaches, we examined how V3 net charge could influence the phenotype of the gp120 interaction surface. Molecular dynamics simulations of the identical gp120 outer domain, carrying a V3 loop with net charge of +3 or +7, showed that the V3 change alone could induce global changes in fluctuation and conformation of the loops involved in binding to CD4, coreceptor and antibodies. A neutralization study using the V3 recombinant HIV-1 infectious clones showed that the virus carr

SUBMITTER: Yokoyama M 

PROVIDER: S-EPMC3356331 | biostudies-literature | 2012

REPOSITORIES: biostudies-literature