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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.
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.