PXD044633

PXD044633 is an original dataset announced via ProteomeXchange.

Title	The origin and evolution of the interactions between sex peptide and sex peptide receptor
Description	Post-mating responses play a vital role in successful reproduction across diverse species. In fruit flies, sex peptide (SP) binds to sex peptide receptor (SPR), triggering a series of post-mating responses. However, the origin of SPR predates the emergence of SP. The evolutionary origins of the interactions between SP and SPR and the mechanisms by which they interact remain enigmatic. In this study, we used ancestral sequence reconstruction, AlphaFold2 predictions, and molecular dynamics simulations to study SP-SPR interactions and their origination. Using AlphaFold2 and long-time molecular dynamics (MD) simulations, we demonstrate the structure and dynamics of SP-SPR interactions. We show that SP potentially binds to the ancestral states of Diptera SPR. Notably, we found that only a few amino acid changes in SPR are sufficient for the formation of SP-SPR interactions. Ancestral sequence reconstruction and MD simulations further reveal that SP-SPR interacts through residues that are mostly located at the SPR interface of an ancestral ligand, myoinhibitory peptides (MIPs). We propose a potential mechanism whereby SP-SPR interactions arise from pre-existing MIP-SPR interface as well as early chance events that created novel SP-specific SP-SPR interactions. Our findings provide new insights into the origin and evolution of SP-SPR interactions and their relationship with MIP-SPR interactions.
HostingRepository	PRIDE
AnnounceDate	2024-04-01
AnnouncementXML	Submission_2024-04-01_12:35:52.915.xml
DigitalObjectIdentifier
ReviewLevel	Peer-reviewed dataset
DatasetOrigin	Original dataset
RepositorySupport	Unsupported dataset by repository
PrimarySubmitter	henrik molina
SpeciesList	scientific name: Drosophila melanogaster (Fruit fly); NCBI TaxID: 7227;
ModificationList	No PTMs are included in the dataset
Instrument	Q Exactive HF; Orbitrap Fusion Lumos

Revision	Datetime	Status	ChangeLog Entry
0	2023-08-18 08:33:38	ID requested
1	2024-03-20 11:27:56	announced
⏵ 2	2024-04-01 12:35:53	announced	2024-04-01: Updated project metadata.

10.1093/molbev/msae065;

Peng J, Svetec N, Molina H, Zhao L, The Origin and Evolution of Sex Peptide and Sex Peptide Receptor Interactions. Mol Biol Evol, 41(4):(2024) [pubmed]

submitter keyword: Post-mating responses, sex peptide (SP), In fruit flies, sex peptide receptor (SPR)

Li Zhao
contact affiliation	The Rockefeller University
contact email	lzhao@rockefeller.edu
lab head
henrik molina
contact affiliation	THE ROCKEFELLER UNIVERSITY
contact email	henrik.molina@gmail.com
dataset submitter

Dataset FTP location NOTE: Most web browsers have now discontinued native support for FTP access within the browser window. But you can usually install another FTP app (we recommend FileZilla) and configure your browser to launch the external application when you click on this FTP link. Or otherwise, launch an app that supports FTP (like FileZilla) and use this address: ftp://ftp.pride.ebi.ac.uk/pride/data/archive/2024/03/PXD044633

PRIDE project URI

• PRIDE
  1. PXD044633
     1. Label: PRIDE project
     2. Name: The origin and evolution of the interactions between sex peptide and sex peptide receptor