Crystal Structure of Smoothened Bound to SAG21k, Cholesterol, and NbSmo8

A crystal structure dataset from the University of California, San Francisco details the active Smoothened protein bound to SAG21k, cholesterol, and NbSmo8. The description proposes a mechanism for PTCH1-SMO regulation involving a transmembrane sterol. Data likely includes structural coordinates from molecular dynamics simulations and signaling studies.

Use Cases

• Analyzing protein-ligand interactions based on the bound SAG21k and cholesterol molecules.
• Studying transmembrane protein activation mechanisms based on the proposed sterol access model.
• Simulating molecular dynamics based on the described structural basis for PTCH1-SMO regulation.
• Investigating strategies to overcome clinical resistance based on the SMO inhibitor context.

Strengths

• Data originates from a research institution, the University of California, San Francisco.
• Description integrates findings from multiple methods: crystal structure, signaling studies, and molecular dynamics simulations.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Last update date is unknown; freshness unverified.

Provenance

Source

University of California, San Francisco

Collection Method

Likely derived from X-ray crystallography, molecular dynamics simulations, and signaling studies.