An Investigation of Three-Finger Toxin-nAChR Interactions through Rosetta Protein Docking.

ABSTRACT: Three-finger toxins (3FTX) are a group of peptides that affect multiple receptor types. One group of proteins affected by 3FTX are nicotinic acetylcholine receptors (nAChR). Structural information on how neurotoxins interact with nAChR is limited and is confined to a small group of neurotoxins. Therefore, in silico methods are valuable in understanding the interactions between 3FTX and different nAChR subtypes, but there are no established protocols to model 3FTX-nAChR interactions. We followed a homology modeling and protein docking protocol to address this issue and tested its success on three different systems. First, neurotoxin peptides co-crystallized with acetylcholine binding protein (AChBP) were re-docked to assess whether Rosetta protein-protein docking can reproduce the native po

SUBMITTER: Gulsevin A 

PROVIDER: S-EPMC7551183 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature