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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

Caspase 3- 1rhk

Introduction

Caspases are a group of dimeric cysteine proteases that play important roles to control the ultimate steps of apoptosis and innate inflammation; they are also very important in cellular development, homeostasis and in a wide range of diseases such as neurodegeneration, ischemia and cancers. During apoptosis, the upstream initiator caspases, caspases 8 and 9, activate with the downstream executioner caspases, caspases 3, 6 and 7, via zymogen maturation. The activated executioner caspases then cleave upwards of 500 key proteins and DNA, which finally cause the death of cells. [2] Caspases 3 () is one of the downstream executioner caspases which interacts with caspase 8 and 9. It is formed from a 32 kDa zymogen that is cleaved into 17 kDa and 12 kDa subunits. Caspase 3 has many of the typical characteristics which all currently-known caspases also own. For instance, its active site contains acysteine residue () and histidine residue () that stabilize the peptide bond cleavage of a protein sequence to the carboxy-terminal side of an aspartic acid when it is part of a particular 4-amino acid sequence. [3] Besides apoptosis, caspase 3 also has many biological functions, such as normal brain development and several significant diseases including Alzheimer’s disease, Polycystic Kidney Disease [4] and Cancers.


Overall Structure

Insert caption here

Drag the structure with the mouse to rotate


Binding Interactions

-Focus on difficulties in finding good inhibitors

-Chemical and conformational changes applied to various inhibitors

-How successful each of the inhibitors used was in the study

-Good drug candidates for inhibition

Binding sites for .

Additional Features

-Role in apoptosis

   --How it is activated (green scene of activation ligand?)
   --catalytic site (if binding interactions doesn't cover this)

-Potential role in stem-cell differentiation:

 "rather than by simply limiting self-renewal. In this model, caspase-3 may simultaneously engage factors to promote the gene expression profile and resulting phenotypic changes that result in a specific differentiated  cell type" (Abdul-Ghani and Megeney 515)


Credits

Introduction - Di Lin

Overall Structure - Austin Virtue

Drug Binding Site - Jill Moore

Additional Features - Alex Way

References


Rehabilitation of a Contract Killer: Caspase-3 Directs Stem Cell Differentiation. Mohammad Abdul-Ghani,Lynn A. Megeney [1] [2]Jeanne A. Hardy1 and James A. Wells, Dissecting an Allosteric Switch in Caspase-7 Using Chemical and Mutational Probes, THE JOURNAL OF BIOLOGICAL CHEMISTRY,VOL. 284, NO. 38, pp. 26063–26069, September 18, 2009.

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