Sandbox Reserved 895

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This Sandbox is Reserved from Jan 13 through July 31, 2020 for use in the course Protein Structure in Drug Discovery taught by Karen C. Glass at the ACPHS, Colchester, United States. This reservation includes Sandbox Reserved 895 through Sandbox Reserved 901.
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  • Click the edit this page tab at the top. Save the page after each step, then edit it again.
  • show the Scene authoring tools, create a molecular scene, and save it. Copy the green link into the page.
  • Add a description of your scene. Use the buttons above the wikitext box for bold, italics, links, headlines, etc.

More help: Help:Editing

Contents

Introduction to the RPE65

Figure 1: Emixustat and palmitate bound in the active site of RPE65

Drag the structure with the mouse to rotate

Structure and Activity

Classification and Structural Analysis of RPE65

Classification nomenclature for RPE65 is as follow according to <insert classification type>

Retinal pigment epithelium 65 (RPE65) resembles a 7-bladed propeller with two deep binding pockets that contains a lipophilic binding pocket (which binds to endogenous palmitoyl acid) as well as an charged iron(II) atom stabilized by 4 histidine residues (His180, His241, His313 and His527) which binds to the carboxylic acid functional group of endogenous palmitoyl acid.


Enzymatic Activity of RPE65

(PLACEHOLDER)

Figure 2: The canonical Visual Cycle in Humans
Figure 2: The canonical Visual Cycle in Humans [1]


Protein-Ligand Interaction

Endogenous Ligand

(PLACEHOLDER)

Exogenous Ligand

(R)-Emixustat (ACU-4429)

Figure 3:(R)-emixustat and palmitate bound in the active site of RPE65

Drag the structure with the mouse to rotate

(S)-Emixustat

Figure 4:(S)-emixustat and palmitate bound in the active site of RPE65

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R/S Enantiomers Differences

(PLACEHOLDER)

Disease Implications

(PLACEHOLDER)

Medical Relevance

Dry (atrophic) age related macular degeneration

Stargadt's Disease

This is a sample scene created with SAT to by Group, and another to make of the protein. You can make your own scenes on SAT starting from scratch or loading and editing one of these sample scenes.

References

  1. ↑ Shin Y, Moiseyev G, Petrukhin K, Cioffi CL, Muthuraman P, Takahashi Y, Ma JX. A novel RPE65 inhibitor CU239 suppresses visual cycle and prevents retinal degeneration. Biochim Biophys Acta Mol Basis Dis. 2018 Jul;1864(7):2420-2429. doi:, 10.1016/j.bbadis.2018.04.014. Epub 2018 Apr 21. PMID:29684583 doi:http://dx.doi.org/10.1016/j.bbadis.2018.04.014
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