Integrated Molecular Dynamics Analysis of TP53 H179 Variants in NSCLC

Ankur Datta's research data sheet analyzes TP53 gene mutations at the His179 zinc-binding site in Non-Small Cell Lung Cancer. The study evaluates mutational profiles from 616 lung adenocarcinoma and 544 lung squamous cell carcinoma individuals in the TCGA. The document, last updated in April 2026, details structural and functional ramifications of specific H179 substitutions using molecular dynamics simulations.

Use Cases

• Analyzing mutation frequency and types at the TP53 His179 locus based on TCGA cohort data.
• Studying structural perturbations in protein loops L1 and L2 based on conformational trajectory analysis.
• Evaluating zinc-binding affinity changes in p53 mutants based on molecular dynamics simulation results.
• Comparing residue-level interaction patterns between wildtype and mutant proteins based on contact map data.

Strengths

• Includes data from 1,160 individuals across two NSCLC subtypes (616 LUAD, 544 LUSC).
• Reports specific mutation prevalence: TP53 mutations in 50% of LUAD and 81% of LUSC cases.
• Focuses on five specific amino acid substitutions (Y, R, N, L, D) at the H179 site.
• Released under a permissive CC-BY-4.0 license.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• Data is contained in a 701.4 KB DOCX file, which is a small and non-standard format for structured data analysis.

Provenance

Source

figshare, author Ankur Datta.

Collection Method

Analysis of TCGA mutational profiles combined with static structural analysis and atomistic molecular dynamics simulations.

Time Range

Likely corresponds to the TCGA data collection period, but not explicitly stated.

Freshness

Last updated 2026-04-10 05:59:22; freshness should be verified.

Geography

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