VEGFR-2 Ligand Interactions with N2 and Axitinib

Nawar Raad Hussein published a dataset on ligand-protein interactions for VEGFR-2 (PDB: 5EW3). The data describes specific Van der Waals and hydrogen bond interactions between the ligand N2 and amino acids VAL 898 and ASP 1046, as well as an interaction between axitinib and ILE 1025. The dataset was last updated on May 14, 2026, and is available as a 5.5 KB XLS file under a CC-BY-4.0 license.

Use Cases

• Validate molecular docking simulations based on described Van der Waals interactions with VAL 898.
• Benchmark hydrogen bond prediction algorithms based on the HB between triazole nitrogens and ASP 1046.
• Compare ligand binding modes using the described interaction of axitinib with ILE 1025.

Strengths

• Dataset is small (5.5 KB), facilitating quick download and inspection.
• Specific atomic-level interactions (VDW, HB) are described for named ligands and amino acids.
• Clear provenance is provided, citing the specific Protein Data Bank entry 5EW3.

Limitations

• Row count and column-level documentation are unknown, limiting suitability assessment.
• The dataset's scope is very narrow, focusing on only two specific ligand interactions.

Provenance

Source

Nawar Raad Hussein via figshare.

Collection Method

Likely derived from computational analysis or literature review of the PDB structure 5EW3.

Freshness

Last updated 2026-05-14 17:32:26.