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This Sandbox is Reserved from January 19, 2016, through August 31, 2016 for use for Proteopedia Team Projects by the class Chemistry 423 Biochemistry for Chemists taught by Lynmarie K Thompson at University of Massachusetts Amherst, USA. This reservation includes Sandbox Reserved 425 through Sandbox Reserved 439.

Contents 1 P2Y12 Receptor in Complex with Clopidogrel (4ntj)[1] 2 Introduction 3 Overall Structure 4 Binding Interactions 5 Additional Features 6 Quiz Question 1 7 See Also 8 Credits 9 References

P2Y12 Receptor in Complex with Clopidogrel (4ntj)^[1]

by [Cora Ricker, Lauren Timmins, Aidan Finnerty, Adam Murphy, Duy Nguyen]

Student Projects for UMass Chemistry 423 Spring 2016

Introduction

spinqualitylabelsall models 4ntj, Insert caption here Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

.

OUTLINE FOR INTRODUCTION:

A)P2Y receptors are a subunit of a catergory of purinergic G-protein-coupled receptors

  1)Cell receptors have specificity for ATP or ADP over adenosine
  2)P2Y12-->platelet activation and thrombus formation
  3)Drugs Candidates - engineered molecules (allosteric regulators) that can inhibit P2Y12 receptors through conformational change and active site inhibition.

B) Plavix, Effient, and Brilinta

  1) Effects on P2Y12

C)ADZ1283 - Binding and Pocket Chemistry D) Differences between P2Y12r with and without ADZ1283

Note: Green Scene still to come

Overall Structure

spinqualitylabelsall models 4ntj, Overall Structure Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

The is mostly made up of alpha helices, shown in pink. The beta strands are shown in yellow. Polar vs nonpolar:Polar regions are pink. Nonpolar, or hyrophobic, regions are grey.

Binding Interactions

spinqualitylabelsall models pdbcode, Insert caption here Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

The of P2Y12 is colored in purple, which is the burried site, along with the ligands, which is colored in yellow.

Additional Features

spinqualitylabelsall models pdbcode, Insert caption here Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

Quiz Question 1

spinqualitylabelsall models pdbcode, Insert caption here Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

See Also

• 4ntj
• 4pxz
• 4py0
• 1vz1

Credits

Introduction - Adam Murphy

Overall Structure - Cora Ricker

Drug Binding Site - Duy Nguyen

Additional Features - Lauren Timmins

Quiz Question 1 - Aidan Finnerty

References

1. ↑ Zhang K, Zhang J, Gao ZG, Zhang D, Zhu L, Han GW, Moss SM, Paoletta S, Kiselev E, Lu W, Fenalti G, Zhang W, Muller CE, Yang H, Jiang H, Cherezov V, Katritch V, Jacobson KA, Stevens RC, Wu B, Zhao Q. Structure of the human P2Y12 receptor in complex with an antithrombotic drug. Nature. 2014 May 1;509(7498):115-8. doi: 10.1038/nature13083. Epub 2014 Mar 23. PMID:24670650 doi:http://dx.doi.org/10.1038/nature13083