Atomic Modeling of an Immature Retroviral Lattice Using Molecular Dynamics and Mutagenesis.
Structure
; 23(8): 1414-1425, 2015 Aug 04.
Article
em En
| MEDLINE
| ID: mdl-26118533
ABSTRACT
Defining the molecular interaction between Gag proteins in an assembled hexagonal lattice of immature retrovirus particles is crucial for elucidating the mechanisms of virus assembly and maturation. Recent advances in cryo-electron microscopy have yielded subnanometer structural information on the morphology of immature Gag lattices, making computational modeling and simulations feasible for investigating the Gag-Gag interactions at the atomic level. We have examined the structure of Rous sarcoma virus (RSV) using all-atom molecular dynamics simulations and in vitro assembly, to create the first all-atom model of an immature retroviral lattice. Microseconds-long replica exchange molecular dynamics simulation of the spacer peptide (SP)-nucleocapsid (NC) subdomains results in a six-helix bundle with amphipathic properties. The resulting model of the RSV Gag lattice shows features and dynamics of the capsid protein with implications for the maturation process, and confirms the stabilizing role of the upstream and downstream regions of Gag, namely p10 and SP-NC.
Texto completo:
1
Base de dados:
MEDLINE
Assunto principal:
Produtos do Gene gag
/
Nucleocapsídeo
/
Vírus do Sarcoma de Rous
/
Simulação de Dinâmica Molecular
Idioma:
En
Ano de publicação:
2015
Tipo de documento:
Article