Sandbox11
From Proteopedia
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==Binding== | ==Binding== | ||
By Andy Kim== | By Andy Kim== | ||
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| + | The active site of Torpedo californica acetylcholinesterase (TcAChE) is buried at the bottom of a narrow, deep gorge in the enzyme, and contains a catalytic triad consisting of Ser200, Glu327, and His440. When complexed with tacrine (THA), the aromatic rings of Trp84 and Phe330 sandwich the THA’s acridine ring . The phenyl ring of Phe330 lies parallel to and in contact with THA. THA is stacked against Trp-84. Its ring nitrogen is H-bonded to the main chain carbonyl oxygen of Hist-440 and it’s amino nitrogen is H-bonded to a water molecule. | ||
==Additional Features== | ==Additional Features== | ||
Revision as of 20:09, 21 April 2011
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
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| 1acj, resolution 2.80Å () | |||||||||
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| Ligands: | |||||||||
| Activity: | Acetylcholinesterase, with EC number 3.1.1.7 | ||||||||
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| Resources: | FirstGlance, OCA, RCSB, PDBsum | ||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||
Contents |
Topic: Acetylcholinesterase bound by Tacrine
Introduction
By Tyler Vlass
Overall structure
By Zach Brentzel
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| 1ea5, resolution 1.80Å () | |||||||||
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| Ligands: | |||||||||
| 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 | ||||||||
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| 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]]
¤Acetylcholinesterase (AChE) is an monomeric enzyme. Most often, AChE forms a tetramer and binds with a molecule, collagen Q, to connect to the membrane of the neuromuscular junction. [[2]]. From the , it can be seen that there are 17 and 14 . There are 2 beta sheets formed from 3 anti-parallel and 11 anti-parallel beta sheets, respectively(maybe highlight with green scene). As the shows, turns, alpha helices, and beta sheets all occupy a portion of the exterior of the protein. The means that the turns must be composed primarily of polar side chains. On the other hand, the alpha helices will be amphipathic with side chain order designated by the helical wheel; the exterior will be filled with polar side chains that can hydrogen bond with water while the inside of the alpha helix will have nonpolar, hydrophobic groups. The beta sheets must also be amphipathic, but the pattern of side chains is alternating polar and nonpolar. In addition, in order to maintain its tertiary structure, the protein has three sulfide bonds, which are covalent bonds that form between cysteine. The between cysteine 67 and cysteine 94 is 5.03 angstroms. ¤To do: Try to show 4 monomers, better alpha helices, explain polar/nonpolar regions, where binding site is
Binding
By Andy Kim==
The active site of Torpedo californica acetylcholinesterase (TcAChE) is buried at the bottom of a narrow, deep gorge in the enzyme, and contains a catalytic triad consisting of Ser200, Glu327, and His440. When complexed with tacrine (THA), the aromatic rings of Trp84 and Phe330 sandwich the THA’s acridine ring . The phenyl ring of Phe330 lies parallel to and in contact with THA. THA is stacked against Trp-84. Its ring nitrogen is H-bonded to the main chain carbonyl oxygen of Hist-440 and it’s amino nitrogen is H-bonded to a water molecule.
Additional Features
By Zach Hitzig
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Andy Kim, Zach Brentzel, Tyler Vlass, Zach Hitzig-Acetylcholinesterase
