Sandbox11

This sandbox is in use until August 1, 2011 for UMass Chemistry 423. Others please do not edit this page. Thanks!

Chem423 Team Projects: Understanding Drug Mechanisms

Andy Kim, Zach Brentzel, Tyler Vlass, Zach Hitzig

spinqualitylabelsall models Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D load='1acj' size='350' frame='false' scene=
1acj, resolution 2.80Å (default scene)
Ligands:	THA
Activity:	Acetylcholinesterase, with EC number 3.1.1.7
Structural annotation: Resources: CATH : 1Acj000 InterPro : Ipr002018, Ipr000908, Ipr000997 Pfam : PF00135 SCOP : d1acj__ UniProt : P04058
Functional annotation: Cellular component: cell junction membrane synapse Biological process: neurotransmitter catabolic process acetylcholine catabolic process in synaptic cleft Molecular function: GPI anchor binding cholinesterase activity acetylcholinesterase activity hydrolase activity
Evolutionary conservation: Toggle Conservation Colors: Rows = identical sequences: Further Information: Caveats, Explanation, Complete Results at ConSurfDB
Resources:	FirstGlance, OCA, RCSB, PDBsum
Coordinates:	save as pdb, mmCIF, xml

Introduction

By Tyler Vlass

Overall structure

By Zach Brentzel

spinqualitylabelsall models Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D load='1ea5' size='350' frame='false' scene=
1ea5, resolution 1.80Å (default scene)
Ligands:	NAG
Activity:	Acetylcholinesterase, with EC number 3.1.1.7
Related:	1amn, 1ax9, 1cfj, 1dx6, 1e3q, 1e66, 1eea, 1eve, 1fss, 1oce, 1qid, 1qie, 1qif, 1qig, 1qih, 1qii, 1qij, 1qik, 1qim, 1qti, 1som, 1vot, 1vxo, 1vxr, 2ace, 2ack, 2dfp, 3ace
Structural annotation: Resources: CATH : 1Ea5A00 InterPro : Ipr000908, Ipr000997, Ipr019826, Ipr019819, Ipr002018 Pfam : PF00135 SCOP : d1ea5a_
Evolutionary conservation: Toggle Conservation Colors: Rows = identical sequences: Further Information: Caveats, Explanation, Complete Results at ConSurfDB
Resources:	FirstGlance, OCA, RCSB, PDBsum
Coordinates:	save as pdb, mmCIF, xml

¤Acetylcholinesterase (AChE) is a tetramer that is connected to the membrane in neuromuscular junctions by a molecule called collagen Q. [[1]]

¤In the secondary structure, it can be seen that there are X alpha helices and 14 beta strands. There are 2 beta sheets formed from 3 anti-parallel and 11 anti-parallel beta sheets, respectively(maybe highlight with green scene).

¤To do: Try to show 4 monomers, better alpha helices, explain polar/nonpolar regions, where binding site is

alpha helix

Binding

By Andy Kim==

Additional Features

By Zach Hitzig

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This is a placeholder text to help you get started in placing a Jmol applet on your page. At any time, click "Show Preview" at the bottom of this page to see how it goes.

Replace the PDB id (use lowercase!) after the STRUCTURE_ and after PDB= to load and display another structure.

Andy Kim, Zach Brentzel, Tyler Vlass, Zach Hitzig-Acetylcholinesterase