Linking Electrostatic Effects and Protein Motions in Enzymatic Catalysis. A Theoretical Analysis of CatecholO-Methyltransferase

2014 ◽  
Vol 119 (3) ◽  
pp. 873-882 ◽  
Author(s):  
Rafael García-Meseguer ◽  
Kirill Zinovjev ◽  
Maite Roca ◽  
Javier J. Ruiz-Pernía ◽  
Iñaki Tuñón
Keyword(s):  
Theoretical Analysis ◽  
Enzymatic Catalysis ◽  
Electrostatic Effects ◽  
Protein Motions

Dynamic Connection between Enzymatic Catalysis and Collective Protein Motions

Biochemistry ◽  
2021 ◽  
Author(s):  
Pedro Ojeda-May ◽  
Ameeq UI Mushtaq ◽  
Per Rogne ◽  
Apoorv Verma ◽  
Victor Ovchinnikov ◽  
...  
Keyword(s):  
Enzymatic Catalysis ◽  
Protein Motions

Theoretical Analysis of the Diradical Nature of Adenosylcobalamin Cofactor−Tyrosine Complex in B12-Dependent Mutases: Inspiring PCET-Driven Enzymatic Catalysis

2010 ◽  
Vol 114 (17) ◽  
pp. 5928-5939 ◽  
Author(s):  
Pawel M. Kozlowski ◽  
Takashi Kamachi ◽  
Manoj Kumar ◽  
Tomonori Nakayama ◽  
Kazunari Yoshizawa
Keyword(s):  
Theoretical Analysis ◽  
Enzymatic Catalysis

scholarly journals Substrate-induced Interconversion of Protein Quaternary Structure Isoforms

2005 ◽  
Vol 280 (16) ◽  
pp. 15786-15793 ◽  
Author(s):  
Lei Tang ◽  
Linda Stith ◽  
Eileen K. Jaffe
Keyword(s):  
Active Site ◽  
Quaternary Structure ◽  
Dynamic Equilibrium ◽  
Enzymatic Catalysis ◽  
Oligomeric Proteins ◽  
Enzyme Active Site ◽  
Protein Motions ◽  
Monomer Structure ◽  
Porphobilinogen Synthase ◽  
Low Activity

Human porphobilinogen synthase (PBGS) can exist in two dramatically different quaternary structure isoforms, which have been proposed to be in dynamic equilibrium (Breinig, S., Kervinen, J., Stith, L., Wasson, A. S., Fairman, R., Wlodawer, A., Zdanov, A., and Jaffe, E. K. (2003)Nat. Struct. Biol.10, 757–763). The quaternary structure isoforms of PBGS result from two alternative conformations of the monomer; one monomer structure assembles into a high activity octamer, whereas the other monomer structure assembles into a low activity hexamer. The kinetic behavior of these oligomers led to the hypothesis that turnover facilitates the interconversion of the oligomeric structures. The current work demonstrates that the interactions of ligands at the enzyme active site promote the structural interconversion between human PBGS quaternary structure isoforms, favoring formation of the octamer. This observation illustrates that the assembly and disassembly of oligomeric proteins can be facilitated by the protein motions that accompany enzymatic catalysis.

Do Dynamic Effects Play a Significant Role in Enzymatic Catalysis? A Theoretical Analysis of Formate Dehydrogenase

2010 ◽  
Vol 16 (37) ◽  
pp. 11399-11411 ◽  
Author(s):  
Maite Roca ◽  
Mónica Oliva ◽  
Raquel Castillo ◽  
Vicente Moliner ◽  
Iñaki Tuñón
Keyword(s):  
Theoretical Analysis ◽  
Significant Role ◽  
Formate Dehydrogenase ◽  
Enzymatic Catalysis ◽  
Dynamic Effects

Microdiffraction Patterns of Small Metallic Particles II; Theoretical Analysis

1982 ◽  
Vol 40 ◽  
pp. 668-669
Author(s):  
A. Gómez ◽  
P. Schabes-Retchkiman ◽  
M. José-Yacamán ◽  
T. Ocaña
Keyword(s):  
Experimental Data ◽  
Electron Diffraction ◽  
Theoretical Analysis ◽  
Size Range ◽  
Dynamical Theory ◽  
Metallic Particles ◽  
Splitting Effect

The splitting effect that is observed in microdiffraction pat-terns of small metallic particles in the size range 50-500 Å can be understood using the dynamical theory of electron diffraction for the case of a crystal containing a finite wedge. For the experimental data we refer to part I of this work in these proceedings.

Theoretical analysis of a monopole antenna with conducting flat disk above the earth

2001 ◽  
Vol 84 (7) ◽  
pp. 27-36
Author(s):  
Aki Yuasa ◽  
Daisuke Itatsu ◽  
Naoki Inagaki ◽  
Nobuyoshi Kikuma
Keyword(s):  
Theoretical Analysis ◽  
Monopole Antenna ◽  
The Earth ◽  
Flat Disk

Context Aversion, Pavlovian Conditioning, and the Psychological Side Effects of Chemotherapy

1997 ◽  
Vol 2 (2) ◽  
pp. 118-124
Author(s):  
Geoffrey Hall
Keyword(s):  
Animal Model ◽  
Side Effects ◽  
Theoretical Analysis ◽  
Conditioned Response ◽  
Behavioral Strategies ◽  
Contextual Cues ◽  
Anticipatory Nausea ◽  
Laboratory Rats ◽  
Anticipatory Nausea And Vomiting ◽  
Parallel Case

Patients who have undergone several sessions of chemotherapy for cancer will sometimes develop anticipatory nausea and vomiting (ANV), these unpleasant side effects occurring as the patients return to the clinic for a further session of treatment. Pavlov's analysis of learning allows that previously neutral cues, such as those that characterize a given place or context, can become associated with events that occur in that context. ANV could thus constitute an example of a conditioned response elicited by the contextual cues of the clinic. In order to investigate this proposal we have begun an experimental analysis of a parallel case in which laboratory rats are given a nausea-inducing treatment in a novel context. We have developed a robust procedure for assessing the acquisition of context aversion in rats given such training, a procedure that shows promise as a possible animal model of ANV. Theoretical analysis of the conditioning processes involved in the formation of context aversions in animals suggests possible behavioral strategies that might be used in the alleviation of ANV, and we report a preliminary experimental test of one of these.

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