Predicting the Structure and Dynamics of Membrane Protein GerAB from Bacillus subtilis.
Int J Mol Sci
; 22(7)2021 Apr 06.
Article
en En
| MEDLINE
| ID: mdl-33917581
ABSTRACT
Bacillus subtilis forms dormant spores upon nutrient depletion. Germinant receptors (GRs) in spore's inner membrane respond to ligands such as L-alanine, and trigger spore germination. In B. subtilis spores, GerA is the major GR, and has three subunits, GerAA, GerAB, and GerAC. L-Alanine activation of GerA requires all three subunits, but which binds L-alanine is unknown. To date, how GRs trigger germination is unknown, in particular due to lack of detailed structural information about B subunits. Using homology modelling with molecular dynamics (MD) simulations, we present structural predictions for the integral membrane protein GerAB. These predictions indicate that GerAB is an α-helical transmembrane protein containing a water channel. The MD simulations with free L-alanine show that alanine binds transiently to specific sites on GerAB. These results provide a starting point for unraveling the mechanism of L-alanine mediated signaling by GerAB, which may facilitate early events in spore germination.
Palabras clave
Texto completo:
1
Colección:
01-internacional
Banco de datos:
MEDLINE
Asunto principal:
Esporas Bacterianas
/
Bacillus subtilis
/
Proteínas Bacterianas
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Membrana Celular
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Simulación de Dinámica Molecular
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Proteínas de la Membrana
Tipo de estudio:
Prognostic_studies
/
Risk_factors_studies
Idioma:
En
Revista:
Int J Mol Sci
Año:
2021
Tipo del documento:
Article
País de afiliación:
Países Bajos