Molecular determinants and interaction data of cyclic peptide inhibitor with the extracellular domain of TrkB receptor

Nitin Chitranshi; Vivek Gupta; Yogita Dheer; Veer Gupta; Roshana Vander Wall; Stuart Graham

doi:10.1016/j.dib.2016.01.016

Molecular determinants and interaction data of cyclic peptide inhibitor with the extracellular domain of TrkB receptor

Data Brief. 2016 Jan 16:6:776-82. doi: 10.1016/j.dib.2016.01.016. eCollection 2016 Mar.

Authors

Nitin Chitranshi¹, Vivek Gupta¹, Yogita Dheer¹, Veer Gupta², Roshana Vander Wall¹, Stuart Graham³

Affiliations

¹ Faculty of Medicine and Health Sciences, Macquarie University, F10A, 2 Technology Place, North Ryde, NSW 2109, Australia.
² School of Medical Sciences, Edith Cowan University, Perth, Australia.
³ Faculty of Medicine and Health Sciences, Macquarie University, F10A, 2 Technology Place, North Ryde, NSW 2109, Australia; Save Sight Institute, Sydney University, Sydney, NSW 2109, Australia.

Abstract

TrkB is a high affinity receptor for the brain derived neurotrophic factor (BDNF) and its phosphorylation stimulates activation of several intracellular signalling pathways linked to cellular growth, differentiation and maintenance. Identification of various activators and inhibitors of the TrkB receptor and greater understanding their binding mechanisms is critical to elucidate the biochemical and pharmacological pathways and analyse various protein crystallization studies. The data presented here is related to the research article entitled "Brain Derived neurotrophic factor is involved in the regulation of glycogen synthase kinase 3β (GSK3β) signalling" [1]. Cyclotraxin B (CTXB) is a disulphide bridge linked cyclic peptide molecule that interacts with TrkB receptor and inhibits the BDNF/TrkB downstream signalling. This article reports for the first time binding mechanism and interaction parameters of CTXB with the TrkB receptor. The molecular model of CTXB has been generated and it's docking with TrkB domain carried out to determine the critical residues involved in the protein peptide interaction.

Keywords: Cyclotraxin B; Docking; GSK3β; TrkB.