ConoMode

ConoMode aggregates three-dimensional (3D) structural coordinate data of conopeptides from Conus species and their target proteins to support analysis of conopeptide–protein binding modes and ion channel interactions.

Key Features:

• Data Collection: Compiles 3D coordinate data from published literature and the Protein Data Bank (PDB), including 19 conopeptide sequences from 10 Conus species, 15 protein sequences, and 37 distinct 3D structures.
• Experimental Methods: Includes structures determined by X-ray crystallography and electron microscopy.
• Computational Approaches: Contains modeled binding modes derived from docking, homology modeling, and molecular dynamics simulations.
• Validation Requirement: Specifies that computationally modeled binding modes should be validated against experimental data.
• Data Model Flexibility: Employs flexible data models to accommodate unstructured structural data related to conopeptide–protein interactions.

Scientific Applications:

• Drug Development: Identification of novel drug leads by exploiting conopeptide binding specificity to ion channels.
• Physiological Research: Molecular-level investigation of ion channel function and conopeptide–protein interactions.

Methodology:

Structural information originates from X-ray crystallography and electron microscopy and from computational methods including docking, homology modeling, and molecular dynamics simulations.