Curated and Ready-to-use Protein Models with Orion® MMDS

Orion® MacroMolecular Data Service

In drug discovery, quality of structural data is key to understanding modeling results. Preparing proteins from experimental data for structure-based discovery contains many critical steps.1 In the Orion® MacroMolecular Data Service (MMDS), we have simplified the process for you.

With Orion MMDS, you have access to more than 38,000 pharmaceutically relevant protein structures, classified by functions,2 annotated for model quality,3 and readily prepared for your modeling needs. You also can prepare and upload* protein structures from your own in-house collection.

  • In Orion MMDS, family trees can be used to sort projects with similar structure so they can be superposed and compared in 3D. Here, an HIV protease structure is loaded into a BACE1 project for comparison as both structures are from the aspartyl protease family.
  • Rapidly assess the quality of different protein crystal structures with Iridium scoring. In Orion MMDS, proteins of similar structure are sorted in a way that allows them to be superposed and compared in the 3D visualizer. Selecting Highly Trustworthy (HT) ranked structures provides you a higher confidence for your virtual screening needs.
  • In Orion MMDS, choose your model's style, coloring, labeling, and water & H-bond preferences to visualize your protein-ligand complexes of interest.

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