Metal-coordination, hydrogen-bond network formation, and protein-solvent interactions in native and complexed human carbonic anhydrase I: a molecular mechanics study

1989 ◽  
Vol 111 (11) ◽  
pp. 4075-4081 ◽  
Author(s):  
Angelo Vedani ◽  
David W. Huhta ◽  
Stephen P. Jacober
Keyword(s):  
Hydrogen Bond ◽  
Carbonic Anhydrase ◽  
Molecular Mechanics ◽  
Network Formation ◽  
Metal Coordination ◽  
Hydrogen Bond Network ◽  
Solvent Interactions ◽  
Carbonic Anhydrase I ◽  
Bond Network ◽  
Human Carbonic Anhydrase

Effect of the hydrogen bond network in carbonic anhydrase II zinc binding site. A theoretical study

1998 ◽  
Vol 76 (7) ◽  
pp. 1027-1032 ◽  
Author(s):  
Silvia Álvarez-Santos ◽  
Àngels González-Lafont ◽  
José M Lluch
Keyword(s):  
Hydrogen Bond ◽  
Carbonic Anhydrase ◽  
Binding Site ◽  
Zinc Binding ◽  
Carbonic Anhydrase Ii ◽  
Am1 Method ◽  
Hydrogen Bond Network ◽  
Zinc Binding Site ◽  
Bond Network ◽  
Metal Ligand

The hydrogen bond network influence on the carbonic anhydrase II (CAII) zinc binding site has been studied theoretically by using the semiempirical AM1 method. To this aim, quantum mechanical reduced models of wild-type CAII and several CAII variants have been constructed. We have shown that, when a direct metal ligand donates a hydrogen bond to an indirect metal ligand, the first-shell residues enhance their electrostatic interaction with the zinc cation. Thus, the hydrogen-bond network is able to modulate the zinc binding affinity and the zinc-water pKa.Key words: hydrogen bond network, carbonic anhydrase II, Zn2+ metalloenzyme ligands.

Hydrogen bond network formation

1999 ◽  
Vol 141 (1) ◽  
pp. 217-226
Author(s):  
D. B. Chase ◽  
R. M. Ikeda
Keyword(s):  
Hydrogen Bond ◽  
Network Formation ◽  
Hydrogen Bond Network ◽  
Bond Network

Probing hydrogen bond network formation in anion–water clusters through high energy collision experiments

2001 ◽  
Vol 115 (11) ◽  
pp. 5101-5106 ◽  
Author(s):  
Palle Jørgensen ◽  
James S. Forster ◽  
Preben Hvelplund ◽  
Steen Brøndsted Nielsen ◽  
Shigeo Tomita
Keyword(s):  
Hydrogen Bond ◽  
Network Formation ◽  
Water Clusters ◽  
High Energy ◽  
Hydrogen Bond Network ◽  
Energy Collision ◽  
High Energy Collision ◽  
Bond Network

Initial dissolution of D2O at the gas–liquid interface of the ionic liquid [C4min][NTf2] associated with hydrogen-bond network formation

2016 ◽  
Vol 18 (40) ◽  
pp. 28061-28068 ◽  
Author(s):  
H. Ohoyama ◽  
T. Teramoto
Keyword(s):  
Hydrogen Bond ◽  
Ionic Liquid ◽  
Collision Energy ◽  
Network Formation ◽  
Liquid Interface ◽  
Hydrogen Bond Network ◽  
Interfacial Surface ◽  
Bond Network

The initial dissolution of D2O at the interfacial surface of the flowing jet sheet beam of the ionic liquid (IL) [C4min][NTf2] was measured using the King and Wells method as a function of both the temperature and collision energy of the IL.

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