Structural and Mechanistic Insights into IL2RG-Associated Immunodeficiency

A computational study investigating the structural impacts of two genetic variants (Trp240Arg and Arg226Cys) in the IL2RG protein. The dataset, authored by Aswini S and last updated in April 2026, contains results from homology modeling, molecular dynamics simulations, and protein-protein docking analyses. It includes binding free energy calculations comparing wild-type and variant complexes with IL-2 and IL-21 cytokines.

Use Cases

• Analyze protein stability and structural integrity based on molecular dynamics simulation results mentioned in the description
• Compare cytokine-receptor binding energetics based on MM/PBSA free energy calculations for wild-type and variant complexes
• Investigate the impact of specific genetic variants on protein-protein interactions based on hydrogen bond and interface stability analyses

Strengths

• Includes specific binding free energy values for IL-2 and IL-21 complexes (e.g., -40.87 kJ/mol for WT-IL-2)
• Focuses on two well-defined genetic variants (Trp240Arg and Arg226Cys) with clear structural hypotheses
• Released under a permissive CC-BY-4.0 license for reuse

Limitations

• Row count is unknown, which may limit suitability assessment
• Column-level documentation is absent; field semantics must be inferred after download
• The 2.6 MB size suggests a small-scale, focused study rather than a large database

Provenance

Source

figshare

Collection Method

Computational analysis using homology modeling, molecular dynamics simulations, and protein-protein docking.

Time Range

Study date unspecified; dataset last updated April 2026.

Freshness

Last updated 2026-04-24 08:28:58; freshness should be verified

Geography

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