Integrated Molecular Dynamics Analysis of TP53 H179 Zinc-Binding Variants in NSCLC

Ankur Datta's research data sheet analyzes TP53 mutations in Non-Small Cell Lung Cancer (NSCLC). The study evaluates mutational profiles from 616 lung adenocarcinoma and 544 lung squamous cell carcinoma individuals from TCGA, focusing on structural perturbations at the His179 zinc-binding site. The document, last updated in April 2026, details results from static structural analysis and molecular dynamics simulations.

Use Cases

• Analyze TP53 mutation frequency and patterns in NSCLC subtypes based on TCGA cohort data.
• Study structural and functional ramifications of specific H179 amino acid substitutions based on molecular dynamics simulations.
• Assess alterations in protein flexibility and binding affinity for zinc based on conformational trajectory analysis.
• Investigate mutation-induced structural plasticity in specific protein loops (L1, L2) based on contact map and energy landscape data.

Strengths

• Includes mutational data from a combined 1,160 LUAD and LUSC individuals from TCGA.
• Provides specific mutation frequencies: TP53 mutations present in 50% of LUAD and 81% of LUSC cases.
• Analyzes five distinct H179 variants (Y/R/N/L/D) with detailed structural and functional comparisons.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The primary data format is a DOCX file (827.5 KB), which suggests a text document rather than a structured data table.

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

Temporal coverage of the underlying TCGA data is not specified.

Freshness

Last updated 2026-04-10 05:59:20; freshness should be verified.

Geography

Spatial coverage is not specified.