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Title: Flexibility of active-site gorge aromatic residues and non-gorge aromatic residues in acetylcholinesterase

Abstract

The presence of an unusually large number of aromatic residues in the active site gorge of acetylcholinesterase has been a topic of great interest. Flexibility of these residues has been suspected to be a key player in controlling ligand traversal in the gorge. This raises the question of whether the over representation of aromatic residues in the gorge implies higher than normal flexibility of those residues. The current study suggests that it does not. Large changes in the hydrophobic cross sectional area due to dihedral oscillations are probably the reason behind their presence in the gorge.

Authors:
 [1];  [1]
  1. ORNL
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1185332
DOE Contract Number:  
DE-AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
Chemical Papers
Additional Journal Information:
Journal Volume: 67; Journal Issue: 7
Country of Publication:
United States
Language:
English

Citation Formats

Ghattyvenkatakrishna, Pavan K, and Uberbacher, Edward C. Flexibility of active-site gorge aromatic residues and non-gorge aromatic residues in acetylcholinesterase. United States: N. p., 2013. Web. doi:10.2478/s11696-013-0354-4.
Ghattyvenkatakrishna, Pavan K, & Uberbacher, Edward C. Flexibility of active-site gorge aromatic residues and non-gorge aromatic residues in acetylcholinesterase. United States. doi:10.2478/s11696-013-0354-4.
Ghattyvenkatakrishna, Pavan K, and Uberbacher, Edward C. Tue . "Flexibility of active-site gorge aromatic residues and non-gorge aromatic residues in acetylcholinesterase". United States. doi:10.2478/s11696-013-0354-4.
@article{osti_1185332,
title = {Flexibility of active-site gorge aromatic residues and non-gorge aromatic residues in acetylcholinesterase},
author = {Ghattyvenkatakrishna, Pavan K and Uberbacher, Edward C},
abstractNote = {The presence of an unusually large number of aromatic residues in the active site gorge of acetylcholinesterase has been a topic of great interest. Flexibility of these residues has been suspected to be a key player in controlling ligand traversal in the gorge. This raises the question of whether the over representation of aromatic residues in the gorge implies higher than normal flexibility of those residues. The current study suggests that it does not. Large changes in the hydrophobic cross sectional area due to dihedral oscillations are probably the reason behind their presence in the gorge.},
doi = {10.2478/s11696-013-0354-4},
journal = {Chemical Papers},
number = 7,
volume = 67,
place = {United States},
year = {2013},
month = {1}
}