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Online Journal of Bioinformatics©
Volume 23 (3):276-286, 2022.
In silico crystal structure of UDP-glucose 4-epimerases from Catharanthus roseus.
Ramachandran M and Arunkumar DE.
Bioinformatics Centre, Central Agricultural Research Institute, Port Blair, Andaman and Nicobar Islands, India.
Ramachandran M, Arunkumar DE., In silico crystal structure of UDP-glucose 4-epimerases from Catharanthus roseus, Onl J Bioinform., 23 (3):276-286, 2022. Glucose 4-Epimerase catalyses conversion of UDP-Glucose to UDP-Galactose during glucose metabolism. The reversible interconversion of UDP-D-glucose and UDP-D-galactose is catalyzed by UDP-glucose 4-epimerase. D-galactose is widely distributed in combined form in plants, animals and microorganisms as a constituent of oligo- and polysaccharides; it also occurs in galactolipids and as its glucoside in lactose and melibiose. We describe 3D crystal structure of UDP-glucose 4-epimerase enzymes (EC 126.96.36.199) from Catharanthus roseus by homologous structures against protein dabases validated by PROCHECK and WHAT-IF. Hydropathicity was calculated for binding in the validated model with 89% residues lie in most favored region. We predicted 3 binding sites could be targets for inhibition.
Keywords: UDP – Glucose 4-Epimerase Enzyme, Model building, Validation , Hydropathicity, Drug target, Model validations.