title: Cloning and molecular modeling of a thermostable carboxylesterase from the chicken uropygial glands.
abstract: Starting from total uropygial glands mRNAs, chicken uropygial carboxylesterase (cuCES) cDNA was synthesized by RT-PCR and cloned into the PGEM-T vector. Amino acid sequence of the cuCES is compared to that of human liver carboxylesterase 1 (hCES1). Given the high amino acid sequence homology between the two enzymes, a 3-D structure model of the chicken carboxylesterase was built using the structure of hCES1 as template. By following this model and utilizing molecular dynamics (MD) simulations, the resistance of the chicken carboxylesterase at high temperatures could be explained. The docking of substrate analogs into the cuCES active site was used to explain the fact that the chicken carboxylesterase cannot hydrolyze efficiently large substrate molecules.
authors.affiliation: Laboratoire de Biochimie et de Génie Enzymatique des Lipases, Ecole Nationale d'Ingénieurs de Sfax (ENIS), route de Soukra, BPW 3038 Sfax, Tunisia. Electronic address: Ahmed_Fendri@yahoo.fr.
authors.forename: Ahmed
authors.initials: A
authors.lastname: Fendri
authors.affiliation: Laboratoire de Biochimie et de Génie Enzymatique des Lipases, Ecole Nationale d'Ingénieurs de Sfax (ENIS), route de Soukra, BPW 3038 Sfax, Tunisia.
authors.forename: Fakher
authors.initials: F
authors.lastname: Frikha
authors.affiliation: Laboratoire de Biochimie et de Génie Enzymatique des Lipases, Ecole Nationale d'Ingénieurs de Sfax (ENIS), route de Soukra, BPW 3038 Sfax, Tunisia.
authors.forename: Hanen
authors.initials: H
authors.lastname: Louati
authors.affiliation: Laboratoire de Biochimie et de Génie Enzymatique des Lipases, Ecole Nationale d'Ingénieurs de Sfax (ENIS), route de Soukra, BPW 3038 Sfax, Tunisia.
authors.forename: Madiha
authors.initials: M
authors.lastname: Bou Ali
authors.affiliation: Laboratoire de Biochimie et de Génie Enzymatique des Lipases, Ecole Nationale d'Ingénieurs de Sfax (ENIS), route de Soukra, BPW 3038 Sfax, Tunisia.
authors.forename: Hela
authors.initials: H
authors.lastname: Gargouri
authors.affiliation: Laboratoire de Biochimie et de Génie Enzymatique des Lipases, Ecole Nationale d'Ingénieurs de Sfax (ENIS), route de Soukra, BPW 3038 Sfax, Tunisia.
authors.forename: Youssef
authors.initials: Y
authors.lastname: Gargouri
authors.affiliation: Laboratoire de Biochimie et de Génie Enzymatique des Lipases, Ecole Nationale d'Ingénieurs de Sfax (ENIS), route de Soukra, BPW 3038 Sfax, Tunisia.
authors.forename: Nabil
authors.initials: N
authors.lastname: Miled
mesh_terms: D000595:Amino Acid Sequence; D000818:Animals; D030161:Avian Proteins / Q000737:chemistry* / Q000235:genetics; D001483:Base Sequence; D043182:Carboxylesterase / Q000737:chemistry* / Q000235:genetics; D020134:Catalytic Domain; D002645:Chickens; D003001:Cloning, Molecular; D004795:Enzyme Stability; D004926:Escherichia coli / Q000235:genetics / Q000378:metabolism; D006358:Hot Temperature; D006801:Humans; D007527:Isoenzymes / Q000737:chemistry / Q000235:genetics; D007700:Kinetics; D008099:Liver / Q000737:chemistry / Q000201:enzymology; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation; D008969:Molecular Sequence Data; D010481:Perianal Glands / Q000737:chemistry* / Q000201:enzymology; D011994:Recombinant Proteins / Q000737:chemistry / Q000235:genetics; D016415:Sequence Alignment; D017386:Sequence Homology, Amino Acid; D013379:Substrate Specificity
chemical_list: D030161:Avian Proteins; D007527:Isoenzymes; D011994:Recombinant Proteins; D043182:Carboxylesterase
keywords: 3D structure modeling; Chicken uropygial carboxylesterase; Docking; Molecular dynamic; Nucleotide sequencing; Thermostability