Pneumocystis jirovecii DHFR Mutational Scanning Data for Antifolate Resistance Prediction

Experimental data from a deep mutational scanning study of the dihydrofolate reductase (DHFR) enzyme from the fungal pathogen Pneumocystis jirovecii. The dataset, created by Francois D. Rouleau and last updated in May 2026, measures the effects of single amino-acid substitutions on enzyme function and resistance to the antifolate methotrexate, used to train a random forest model for predicting resistance to related drugs like trimethoprim.

Use Cases

• Training predictive models for drug resistance based on functional mutational landscapes described in the study.
• Analyzing the trade-off between protein function and drug resistance as highlighted in the feature contribution analysis.
• Validating biophysical features like distance to ligand, flexibility, and stability as predictors of resistance-conferring mutations.
• Extrapolating resistance predictions from methotrexate to structurally related antifolates like trimethoprim, as demonstrated in the research.

Strengths

• Dataset is derived from a systematic deep mutational scanning experiment, covering all single amino-acid substitutions in the target protein.
• Experimental functional measurements are integrated with multiple biophysical modeling approaches and an interpretable machine-learning framework.
• Data is shared under a permissive CC-BY-4.0 license, facilitating reuse and redistribution.

Limitations

• The dataset is very small at 9.7 KB, indicating limited scope and likely a summary or supplementary file rather than raw experimental data.
• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment for certain analyses.

Provenance

Source

figshare

Collection Method

Data generated from deep mutational scanning of P. jirovecii DHFR expressed in Saccharomyces cerevisiae, combined with biophysical modeling and machine learning.

Freshness

Last updated 2026-05-27 17:44:23; freshness should be verified.