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Enzymatic Catalysis in b-lactamases: Protonation States of the Catalytic Triad

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Material Information

Title:
Enzymatic Catalysis in b-lactamases: Protonation States of the Catalytic Triad
Physical Description:
Book
Language:
English
Creator:
Wang, Kenneth
Publisher:
New College of Florida
Place of Publication:
Sarasota, Fla.
Publication Date:

Thesis/Dissertation Information

Degree:
Bachelor's ( B.A.)
Degree Grantor:
New College of Florida
Degree Divisions:
Natural Sciences
Area of Concentration:
Chemistry, Biology
Faculty Sponsor:
Shipman, Steven

Subjects

Genre:
bibliography   ( marcgt )
theses   ( marcgt )
government publication (state, provincial, territorial, dependent)   ( marcgt )
born-digital   ( sobekcm )
Electronic Thesis or Dissertation

Notes

Abstract:
Molecular dynamics have been carried out on b-lactamase CTX-M structures resolved by the Chen group at USF. Several protonation states of CTX-M were set up using the CHARMM simulation package in order to mimic the hydrolysis mechanism upon ligand binding. 11 ns simulations show a short intermolecular hydrogen bond between the catalytic triad Serine and Lysine in probable states. Aspartate residues outside of the active site also show evidence of an intermolecular short hydrogen bond, which may play a role in overall protein stability. These results support the proposed mechanism of ligand induced low barrier hydrogen bond formation by Cleland and Kreevoy. These results further validate the role of short intermolecular hydrogen bonds in protein catalysis.
Statement of Responsibility:
by Kenneth Wang
Thesis:
Thesis (B.A.) -- New College of Florida, 2014
General Note:
RESTRICTED TO NCF STUDENTS, STAFF, FACULTY, AND ON-CAMPUS USE
Bibliography:
Includes bibliographical references.
General Note:
This bibliographic record is available under the Creative Commons CC0 public domain dedication. The New College of Florida Libraries, as creator of this bibliographic record, has waived all rights to it worldwide under copyright law, including all related and neighboring rights, to the extent allowed by law.
General Note:
Faculty Sponsor: Shipman, Steven

Record Information

Source Institution:
New College of Florida
Holding Location:
New College of Florida
Rights Management:
Applicable rights reserved.
Classification:
S.T. 2014 W3
System ID:
AA00024825:00001

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