Structural analysis of the zinc hydroxide-Thr-199-Glu-106 hydrogen-bond network in human carbonic anhydrase II

1993 ◽  
Vol 17 (1) ◽  
pp. 93-106 ◽  
Author(s):  
Yafeng Xue ◽  
Anders Liljas ◽  
Bengt-Harald Jonsson ◽  
Sven Lindskog
1998 ◽  
Vol 76 (7) ◽  
pp. 1027-1032 ◽  
Author(s):  
Silvia Álvarez-Santos ◽  
Àngels González-Lafont ◽  
José M Lluch

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.


2014 ◽  
Vol 28 (S1) ◽  
Author(s):  
Daniel Haley ◽  
Nicolle Siegart ◽  
Julie Reitter ◽  
Kenneth Mills

1998 ◽  
Vol 7 (12) ◽  
pp. 2483-2489 ◽  
Author(s):  
P. Ann Boriack-Sjodin ◽  
Samantha Zeitlin ◽  
David W. Christianson ◽  
Huang-Hsing Chen ◽  
Lori Crenshaw ◽  
...  

Biochemistry ◽  
2010 ◽  
Vol 49 (2) ◽  
pp. 249-251 ◽  
Author(s):  
Balendu Sankara Avvaru ◽  
Chae Un Kim ◽  
Katherine H. Sippel ◽  
Sol M. Gruner ◽  
Mavis Agbandje-McKenna ◽  
...  

2014 ◽  
Vol 21 (7) ◽  
pp. 2915-2929 ◽  
Author(s):  
Ilya G. Shenderovich ◽  
Stepan B. Lesnichin ◽  
Chingkuang Tu ◽  
David N. Silverman ◽  
Peter M. Tolstoy ◽  
...  

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