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(Binding Interactions)
(Binding Interactions)
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==Binding Interactions==
==Binding Interactions==
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<Structure load='1a84' size='300' frame='true' align='right' caption='pdbcode, Insert caption here' scene='Insert optional scene name here' />
+
<Structure load='1a84' size='300' frame='true' align='right' caption='pdbcode, Insert caption here' scene='48/483886/4py1_binding_1/1' />
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<scene name='48/483886/4py1_binding_1/1'>LRRK2 Binding Domains</scene>
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LRRK2 contains binding sites for 6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine which we will refer to by its PDB code, 2YK.
LRRK2 contains binding sites for 6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine which we will refer to by its PDB code, 2YK.
The residues involved in binging interactions are listed below:
The residues involved in binging interactions are listed below:
-
-LEU 903A
+
*LEU 903A
-
-VAL 911A
+
*VAL 911A
-
-GLY 1040A
+
*GLY 1040A
-
-GLU 979A
+
*GLU 979A
-
-VAL 981A
+
*VAL 981A
These residues are highlighted in green and the ligand 2YK is shown in blue.
These residues are highlighted in green and the ligand 2YK is shown in blue.

Revision as of 05:48, 11 March 2015


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

LRRK2/Kinase Inhibitors

Introduction

4PY1, Protein Chains depicted using rainbow coloring

Drag the structure with the mouse to rotate

This is our scene for depicting protein chains from the N terminus to C terminus using rainbow coloring.



2YK ligand of 4PY1 with color coded elements

Drag the structure with the mouse to rotate

This scene focuses on the chemical component of 4PY1.



















Overall Structure

pdbcode, insert caption here

Drag the structure with the mouse to rotate





















Binding Interactions

pdbcode, Insert caption here

Drag the structure with the mouse to rotate


LRRK2 contains binding sites for 6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine which we will refer to by its PDB code, 2YK.

The residues involved in binging interactions are listed below:

  • LEU 903A
  • VAL 911A
  • GLY 1040A
  • GLU 979A
  • VAL 981A

These residues are highlighted in green and the ligand 2YK is shown in blue.





















Additional Features

pdbcode, Insert caption here

Drag the structure with the mouse to rotate





















Quiz Question 1

pdbcode, Insert caption here

Drag the structure with the mouse to rotate





















Quiz Question 2

pdbcode, Insert caption here

Drag the structure with the mouse to rotate





















For our second question I am going to present a green scene with the binding pocket and the ligand shown. The green scene will show the details of the binding pocket including the secondary structures and the residues which make them up. I will then ask the student to think about the scene and give three alternations to the ligand which would make it a better competitive inhibitor.

See Also

Credits

Introduction - Megan Greiner

Overall Structure - Nick Barberio

Drug Binding Site - John Vetrano

Additional Features - Nicole Garvin

Quiz Question 1 - Charit Tippareddy

Quiz Question 2 - Peter Kelly


References

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