An Integrated Computational Analysis of the Structure, Dynamics, and Ligand Binding Interactions of the Human Galectin Network

2011 ◽  
Vol 51 (8) ◽  
pp. 1918-1930 ◽  
Author(s):  
Carlos M. A. Guardia ◽  
Diego F. Gauto ◽  
Santiago Di Lella ◽  
Gabriel A. Rabinovich ◽  
Marcelo A. Martí ◽  
...  
Keyword(s):  
Ligand Binding ◽  
Computational Analysis ◽  
Binding Interactions ◽  
Structure Dynamics

scholarly journals Protein-ligand binding interactions of imidazolium salts with SARS CoV-2

Heliyon ◽  
2020 ◽  
Vol 6 (11) ◽  
pp. e05544
Author(s):  
Dhurairaj Satheesh ◽  
Annamalai Rajendran ◽  
Kasi Chithra
Keyword(s):  
Ligand Binding ◽  
Imidazolium Salts ◽  
Binding Interactions

Characterization of the r-state insulin hexamer and its derivatives. The hexamer is stabilized by heterotropic ligand binding interactions

Biochemistry ◽  
1991 ◽  
Vol 30 (27) ◽  
pp. 6636-6645 ◽  
Author(s):  
Mark L. Brader ◽  
Niels C. Kaarsholm ◽  
Robert W. K. Lee ◽  
Michael F. Dunn
Keyword(s):  
Ligand Binding ◽  
Binding Interactions

scholarly journals The interplay of electrostatic fields and binding interactions determining catalytic-site reactivity in actinidin. A possible origin of differences in the behaviour of actinidin and papain

1989 ◽  
Vol 259 (2) ◽  
pp. 443-452 ◽  
Author(s):  
D Kowlessur ◽  
M O'Driscoll ◽  
C M Topham ◽  
W Templeton ◽  
E W Thomas ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Ligand Binding ◽  
Transition State ◽  
Rate Constant ◽  
Ph Dependence ◽  
Order Rate Constant ◽  
Catalytic Site ◽  
Binding Interactions ◽  
Electrostatic Fields ◽  
Transition State Geometry

1. The pH-dependence of the second-order rate constant (k) for the reaction of actinidin (EC 3.4.22.14) with 2-(N'-acetyl-L-phenylalanylamino)ethyl 2'-pyridyl disulphide was determined and the contributions to k of various hydronic states were evaluated. 2. The data were used to assess the consequences for transition-state geometry of providing P2/S2 hydrophobic contacts in addition to hydrogen-bonding opportunities in the S1-S2 intersubsite region. 3. The P2/S2 contacts (a) substantially improve enzyme-ligand binding, (b) greatly enhance the contribution to reactivity of the hydronic state bounded by pKa 3 (the pKa characteristic of the formation of catalytic-site-S-/-ImH+ state) and pKa 5 (a relatively minor contributor in reactions that lack the P2/S2 contacts), such that the major rate optimum occurs at pH 4 instead of at pH 2.8-2.9, and (c) reveal the kinetic influence of a pKa approx. 6.3 not hitherto observed in reactions of actinidin. 4. Possibilities for the interplay of electrostatic effects and binding interactions in both actinidin and papain (EC 3.4.22.2) are discussed.

A General Mass Spectrometry-Based Assay for the Quantitation of Protein−Ligand Binding Interactions in Solution

2002 ◽  
Vol 124 (35) ◽  
pp. 10256-10257 ◽  
Author(s):  
Kendall D. Powell ◽  
Sina Ghaemmaghami ◽  
Michael Z. Wang ◽  
Liyuan Ma ◽  
Terrance G. Oas ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Ligand Binding ◽  
Binding Interactions ◽  
General Mass

scholarly journals Summing Up Ligand Binding Interactions

2003 ◽  
Vol 10 (12) ◽  
pp. 1143-1144 ◽  
Author(s):  
David A Leigh
Keyword(s):  
Ligand Binding ◽  
Binding Interactions

Using NMR Solvent Water Relaxation to Investigate Metalloenzyme−Ligand Binding Interactions

2010 ◽  
Vol 53 (2) ◽  
pp. 867-875 ◽  
Author(s):  
Ivanhoe K. H. Leung ◽  
Emily Flashman ◽  
Kar Kheng Yeoh ◽  
Christopher J. Schofield ◽  
Timothy D. W. Claridge
Keyword(s):  
Ligand Binding ◽  
Binding Interactions ◽  
Solvent Water
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