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Published VersionCC BY V4.0, Open Access
Journal article
Understanding Insulin Endocrinology in Decapod Crustacea: Molecular Modelling Characterization of an Insulin-Binding Protein and Insulin-Like Peptides in the Eastern Spiny Lobster, Sagmariasus verreauxi
International Journal of Molecular Sciences, Vol.18(9), pp.1-19
2017
Appears in UniSC Supported Open Access Outputs
Abstract
The insulin signalling system is one of the most conserved endocrine systems of Animalia from mollusc to man. In decapod Crustacea, such as the Eastern spiny lobster, Sagmariasus verreauxi (Sv) and the red-claw crayfish, Cherax quadricarinatus (Cq), insulin endocrinology governs male sexual differentiation through the action of a male-specific, insulin-like androgenic gland peptide (IAG). To understand the bioactivity of IAG it is necessary to consider its bio-regulators such as the insulin-like growth factor binding protein (IGFBP). This work has employed various molecular modelling approaches to represent S. verreauxi IGFBP and IAG, along with additional Sv-ILP ligands, in order to characterise their binding interactions. Firstly, we present Sv- and Cq-ILP2: neuroendocrine factors that share closest homology with Drosophila ILP8 (Dilp8). We then describe the binding interaction of the N-terminal domain of Sv-IGFBP and each ILP through a synergy of computational analyses. In-depth interaction mapping and computational alanine scanning of IGFBP_N' highlight the conserved involvement of the hotspot residues Q67, G70, D71, S72, G91, G92, T93 and D94. The significance of the negatively charged residues D71 and D94 was then further exemplified by structural electrostatics. The functional importance of the negative surface charge of IGFBP is exemplified in the complementary electropositive charge on the reciprocal binding interface of all three ILP ligands. When examined, this electrostatic complementarity is the inverse of vertebrate homologues; such physicochemical divergences elucidate towards ligand-binding specificity between Phyla. View Full-Text
Details
- Title
- Understanding Insulin Endocrinology in Decapod Crustacea: Molecular Modelling Characterization of an Insulin-Binding Protein and Insulin-Like Peptides in the Eastern Spiny Lobster, Sagmariasus verreauxi
- Authors
- Jennifer Chandler (Author) - University of the Sunshine Coast - Faculty of Science, Health, Education and EngineeringNeha S Gandhi (Author) - Queensland University of TechnologyRicardo L Mancera (Author) - Curtin UniversityGreg Smith (Author) - University of TasmaniaAbigail Elizur (Author) - University of the Sunshine Coast - Faculty of Science, Health, Education and EngineeringTomer Ventura (Author) - University of the Sunshine Coast - Faculty of Science, Health, Education and Engineering
- Publication details
- International Journal of Molecular Sciences, Vol.18(9), pp.1-19
- Publisher
- MDPI AG
- Date published
- 2017
- DOI
- 10.3390/ijms18091832
- ISSN
- 1422-0067; 1422-0067
- Copyright note
- Copyright © 2017 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
- Organisation Unit
- School of Science and Engineering - Legacy; GeneCology Research Centre - Legacy; School of Science, Technology and Engineering; Centre for Bioinnovation
- Language
- English
- Record Identifier
- 99451192702621
- Output Type
- Journal article
- Research Statement
- false
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- Collaboration types
- Domestic collaboration
- Web Of Science research areas
- Biochemistry & Molecular Biology
- Chemistry, Multidisciplinary
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