Published February 27, 2026
| Version 2.0.0
Dataset
Open
MPLID: Membrane Protein-Lipid Interface Dataset v2.0.0
Description
A large-scale dataset of experimentally validated lipid contact residues derived from experimentally determined structures in the Protein Data Bank.
100% EXPERIMENTAL LABELS - NO COMPUTATIONAL DATABASE DEPENDENCIES
Dataset Statistics (v2.0.0)
- Proteins: 4,704
- Total residues: 8,055,325
- Contact residues: 80,439
- Contact rate: 1.00%
- Sequence clusters: 813 (30% identity)
- Lipid codes recognized: 117
Train/Validation/Test Splits
- Train: 2,578 proteins, 4,907,696 residues
- Val: 1,051 proteins, 1,403,838 residues
- Test: 1,075 proteins, 1,743,791 residues
Key Features
- Labels derived 100% from experimentally resolved lipids in PDB structures
- 4.0 Angstrom all-atom heavy-atom distance cutoff
- 4,704 proteins across all membrane protein classes
- Cluster-aware splits prevent data leakage
- Fully reproducible from public PDB data
Notes
Funded by São Paulo Research Foundation (FAPESP) grants 2023/02691-2 and 2025/23708-6.
Files
DATA_DICTIONARY.txt
Files
(112.2 MB)
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Additional details
Related works
- Is supplement to
- https://github.com/omagebright/MPLID (URL)