Insights on the structure and stability of Licanantase: a trimeric acid-stable coiled-coil lipoprotein from Acidithiobacillus thiooxidans
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Abarca, Fernando
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Insights on the structure and stability of Licanantase: a trimeric acid-stable coiled-coil lipoprotein from Acidithiobacillus thiooxidans
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Abstract
Licanantase (Lic) is the major component of the secretome of Acidithiobacillus
thiooxidans when grown in elemental sulphur. When used as an additive, Lic improves
copper recovery frombioleaching processes. However, this recovery enhancement
is not fully understood. In this context, our aim is to predict the 3D structure of
Lic, to shed light on its structure-function relationships. Bioinformatics analyses on
the amino acid sequence of Lic showed a great similarity with Lpp, an Escherichia coli
Lipoprotein that can formstable trimers in solution. Lic and Lpp share the secretion
motif, intracellular processing and alpha helix structure, as well as the distribution of
hydrophobic residues in heptads forming a hydrophobic core, typical of coiled-coil
structures. Cross-linking experiments showed the presence of Lic trimers, supporting
our predictions. Taking the in vitro and in silico evidence as a whole, we propose that
the most probable structure for Lic is a trimeric coiled-coil. According to this prediction,
a suitable model for Lic was produced using the de novo algorithm “Rosetta
Fold-and-Dock”. To assess the structural stability of our model,Molecular Dynamics
(MD) and Replica Exchange MD simulations were performed using the structure of
Lpp and a 14-alanine Lpp mutant as controls, at both acidic and neutral pH. Our
results suggest that Lic was the most stable structure among the studied proteins in
both pH conditions. This increased stability can be explained by a higher number of
both intermonomer hydrophobic contacts and hydrogen bonds, key elements for the
stability of Lic’s secondary and tertiary structure
General note
Artículo de publicación ISI
Patrocinador
FCV
PFB16
FONDAP
CRG 15090007
Millennium Institute Centro Interdisciplinario de Neurociencias de Valparaiso
ICM-ECONOMIA P09-22-F
CIRIC INRIA-Chile
NLHPC
ECM-02
CONICYT
Identifier
URI: https://repositorio.uchile.cl/handle/2250/132630
DOI: DOI: 10.7717/peerj.457
ISSN: 2167-8359
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PEERJ Volumen: 2 Número de artículo: e457, aug 5 2014
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