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OJBTM
Online Journal of Bioinformatics ©
Volume 11
(1): 38-46, 2010.
Phylogenetic Clustering and
Comparative Homology Modelling of Nitrobenzene Nitroreductase
from Pseudomonas pseudoalcaligenes
JS45 and Comamonas sp. CNB-1
Monika K1, Dowlathabad MR2,
Spain JC3, Kadiyala V1,2*
1Department
of Microbiology 2Department of Biotechnology, Sri Krishnadevaraya University, Anantapur
IndiaA and 3School of Civil and
Environmental Engineering, Georgia Institute of Technology, Atlanta, Georgia,
USA
ABSTRACT
Monika K, Dowlathabad
MR, Spain JC, Kadiyala V., Phylogenetic
Clustering and Comparative Homology Modelling of Nitrobenzene Nitroreductase from Pseudomonas pseudoalcaligenes
JS45 and Comamonas sp. CNB-1, Onl
J Bioinform, 11 (1): 38-46, 2010. The nitroreductase from
nitrobenzene-degrading Pseudomonas pseudoalcaligenes
JS45 and chloronitrobenzene-degrading Comamonas sp. CNB-1 was used for phylogenetic
analysis and comparative homology modelling. The phylogenetic dendrogram for primary sequences of nitrobenzene nitroreductase revealed high similarities (88%) in both the
bacteria. The secondary structure analysis, in terms of α-helix,
β-extended sheets and random coils, also showed a greater similarity in
per cent occurrence of amino acids (alanine, leucine and arginine) with varying
structural arrangements in the enzyme. Furthermore, using crystal structure of
the nitroreductase of Bacillus cereus as a
template, 3D models of the enzyme in both the strains were generated to
evaluate the structural and functional relationships. The catalytic sites of
the enzyme in both the bacteria are the same, while functional sites are totally
different.
Key words: Nitrobenzene nitroreductase,
Homology modelling, Catalytic sites, Pseudomonas pseudoalcaligenes
JS45, Comamonas sp. CNB-1
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