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OJBTM
Online Journal of Bioinformatics ©
Volume
9 (2): 92-107, 2008
In-silico study on interaction
of active binding sites of proteins with calcium oxalate monohydrate
Bijarnia RK1, Kaur T, Naik PK1, Singla
SK2, Tandon C1
1Department of Biotechnology and
Bioinformatics, Jaypee University of Information
Technology, Waknaghat, Solan
and 2Department of Biochemistry, Punjab University, Chandigarh, India.
ABSTRACT
Bijarnia RK, Kaur T, Naik PK, Singla SK, Tandon C., In-silico
interaction of active binding sites of proteins with calcium oxalate
monohydrate, Online J Bioinformatics, 9 (2):92-107, 2008
The In silico
interaction of calcium oxalate monohydrate (COM) with active protein
binding sites of bikunin, osteonectin,
urinary prothrombin, CD59 and MAp19 is described.
Active binding sites were predicted and binding affinity with COM was estimated
using Molecular Operation Environment software. Results showed that carboxyl
and hydroxyl amino acids bonded strongly with the calcium ion of COM. The findings suggest that acidic
amino acids bond strongly with COM and the presence of other amino acids
further strengthens bonding.
Keywords: calcium oxalate monohydrate (COM),
crystallization, hydrogen bonding, hydrophophic
interactions, inhibitory protein, kidney stone.
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