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

Journal Article · Tue Jan 01 00:00:00 EST 2013 · Chemical Papers

DOI:https://doi.org/10.2478/s11696-013-0354-4· OSTI ID:1185332

Ghattyvenkatakrishna, Pavan K ^[1]; Uberbacher, Edward C ^[1]

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1. ORNL

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.

• Research Organization: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
• Sponsoring Organization: USDOE Office of Science (SC)
• DOE Contract Number: DE-AC05-00OR22725
• OSTI ID: 1185332
• Journal Information: Chemical Papers, Vol. 67, Issue 7
• Country of Publication: United States
• Language: English