PXD066349-1

PXD066349 is an original dataset announced via ProteomeXchange.

Title	Identification of the malonylation modification in staphylococcus aureus and insight into the regulators in biofilm Formation
Description	Post-translational modifications (PTMs) are critical regulators of bacterial biofilm formation, but the role of lysine malonylation (Kmal) in biofilm formation is still poorly understood. In this study, we analyzed the dynamic changes of protein malonylation of Staphylococcus aureus (S. aureus) DC15 during biofilm formation based on antibody affinity enrichment combined with quantitative proteomics. Quantitative profiling identified 2,833 malonylated sites across 788 proteins, with significant enrichment in biofilm-associated proteins. Twelve conserved motifs, including Kmal******R and Kmal****R (* represents any amino acid residue), dominated the malonyl proteome landscape in S. aureus. The combined analysis of modified and quantitative proteomics revealed the quorum-sensing system as a key regulatory hub in S. aureus biofilm formation. In particular, the response regulator, AgrA, showed decreased expression but increased malonylation at the K2, K11 and K216 sites during S. aureus biofilm formation, suggesting functional compensation. Structural and phylogenetic analysis showed that the key malonylation sites (K216) of protein AgrA were evolutionarily conserved in Gram-positive pathogens including Bacillus cereus. Molecular docking analysis found that antimicrobial peptide BCp12 and natural compound chlorogenic acid could bind with the malonylation sites in AgrA (ΔG = 6.888 and 5.302 kcal/mol, respectively). This study provides a new perspective for understanding the general rules of bacterial biofilm formation and developing broad-spectrum anti-biofilm drugs.
HostingRepository	iProX
AnnounceDate	2025-07-21
AnnouncementXML	Submission_2025-07-21_00:54:36.922.xml
DigitalObjectIdentifier
ReviewLevel	Peer-reviewed dataset
DatasetOrigin	Original dataset
RepositorySupport	Unsupported dataset by repository
PrimarySubmitter	Xiaoyan Yu
SpeciesList	scientific name: Staphylococcus aureus; NCBI TaxID: 1280;
ModificationList	No PTMs are included in the dataset
Instrument	timsTOF Pro

Revision	Datetime	Status	ChangeLog Entry
0	2025-07-21 00:54:21	ID requested
⏵ 1	2025-07-21 00:54:37	announced

Dataset with its publication pending

submitter keyword: planktonic bacteria, biofilm, protein

Yanan Shi
contact affiliation	Yunnan Agricultural University
contact email	yananshihaha@126.com
lab head
Xiaoyan Yu
contact affiliation	Yunnan Agricultural University
contact email	yxy001023@126.com
dataset submitter

iProX dataset URI