Hydrogen bond network in the metal binding site of carbonic anhydrase enhances zinc affinity and catalytic efficiency

1995 ◽  
Vol 117 (26) ◽  
pp. 6831-6837 ◽  
Author(s):  
Laura L. Kiefer ◽  
Steven A. Paterno ◽  
Carol A. Fierke
Keyword(s):  
Hydrogen Bond ◽  
Carbonic Anhydrase ◽  
Binding Site ◽  
Metal Binding ◽  
Catalytic Efficiency ◽  
Hydrogen Bond Network ◽  
Metal Binding Site ◽  
Bond Network

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.

Theoretical aspects of the enhancement of metal binding affinity by intramolecular hydrogen bonding and modulating pKavalues

2017 ◽  
Vol 41 (24) ◽  
pp. 15110-15119 ◽  
Author(s):  
Ahmad Motahari ◽  
Alireza Fattahi
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Binding Affinity ◽  
Metal Binding ◽  
Intramolecular Hydrogen Bonding ◽  
Hydrogen Bond Network ◽  
Bond Network ◽  
The Stability ◽  
Intramolecular Hydrogen

The stability balance shows that the hydrogen bond network and modulation of pKavalues can enhance the metal binding affinity.

Reduction of the Pea Ferredoxin-NADP(H) Reductase Catalytic Efficiency by the Structuring of a Carboxyl-Terminal Artificial Metal Binding Site†

Biochemistry ◽  
2006 ◽  
Vol 45 (46) ◽  
pp. 13899-13909 ◽  
Author(s):  
Daniela L. Catalano-Dupuy ◽  
Martín Orecchia ◽  
Daniela V. Rial ◽  
Eduardo A. Ceccarelli
Keyword(s):  
Binding Site ◽  
Metal Binding ◽  
Catalytic Efficiency ◽  
Metal Binding Site ◽  
Carboxyl Terminal

Polyol Metal Complexes, 45 [1]. D-Glucopyranosides as Ligands in Nickel Complexes

2004 ◽  
Vol 59 (2) ◽  
pp. 134-139 ◽  
Author(s):  
Sven Herdin ◽  
Gerhard Kettenbach ◽  
Peter Klüfers
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bond ◽  
Metal Complexes ◽  
Binding Site ◽  
Metal Binding ◽  
Nickel Complex ◽  
Nickel Complexes ◽  
Metal Binding Site ◽  
Cellulose Solvent ◽  
Intramolecular Hydrogen

Crystalline nickel complexes with dianionic glucopyranoside ligands have been obtained by the reaction of methyl-D-glucopyranoside (Me-β -D-Glcp) or sucrose (Suc) with the cellulose solvent Ni-tren, an aqueous solution of [(tren)Ni(OH)2], tren = tri(2-aminoethyl)amine. Crystals of a nickel complex of α,α-trehalose (α,α-Tre) form after the reaction of the disaccharide with Ni-Me3 tren, the N,N′,N″-trimethyl analogue of Ni-tren. The metal-binding site is the O3,O4 diolate in [(tren)Ni(Me-β-D-Glcp3,4H−2)] · 5.5H2O; in [(tren)Ni(Suc2’,3’H−2)] · 6H2O, hydrogen-bond-supported O2,O3 chelation in the glucose part of the disaccharide is observed. The same metal-binding site as sucrose is exhibited by α,α-trehalose in [(tren)Ni(α,α-Tre2,3H−2)] ・ 5H2O but without the support by an intramolecular hydrogen bond.

scholarly journals Evidence for an Extended Hydrogen Bond Network in the Binding Site of the Nicotinic Receptor

2011 ◽  
Vol 286 (37) ◽  
pp. 32251-32258 ◽  
Author(s):  
Angela P. Blum ◽  
Kristin Rule Gleitsman ◽  
Henry A. Lester ◽  
Dennis A. Dougherty
Keyword(s):  
Hydrogen Bond ◽  
Binding Site ◽  
Nicotinic Receptor ◽  
Hydrogen Bond Network ◽  
Bond Network
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