title: Crystal structure of a novel esterase Rv0045c from Mycobacterium tuberculosis.
abstract: There are at least 250 enzymes in Mycobacterium tuberculosis (M. tuberculosis) involved in lipid metabolism. Some of the enzymes are required for bacterial survival and full virulence. The esterase Rv0045c shares little amino acid sequence similarity with other members of the esterase/lipase family. Here, we report the 3D structure of Rv0045c. Our studies demonstrated that Rv0045c is a novel member of α/β hydrolase fold family. The structure of esterase Rv0045c contains two distinct domains: the α/β fold domain and the cap domain. The active site of esterase Rv0045c is highly conserved and comprised of two residues: Ser154 and His309. We proposed that Rv0045c probably employs two kinds of enzymatic mechanisms when hydrolyzing C-O ester bonds within substrates. The structure provides insight into the hydrolysis mechanism of the C-O ester bond, and will be helpful in understanding the ester/lipid metabolism in M. tuberculosis.
authors.affiliation: School of Medicine, Tsinghua University, Beijing, China.
authors.forename: Xiangdong
authors.initials: X
authors.lastname: Zheng
authors.forename: Jiubiao
authors.initials: J
authors.lastname: Guo
authors.forename: Lipeng
authors.initials: L
authors.lastname: Xu
authors.forename: Honglei
authors.initials: H
authors.lastname: Li
authors.forename: Dongwei
authors.initials: D
authors.lastname: Zhang
authors.forename: Kai
authors.initials: K
authors.lastname: Zhang
authors.forename: Fei
authors.initials: F
authors.lastname: Sun
authors.forename: Tingyi
authors.initials: T
authors.lastname: Wen
authors.forename: Siguo
authors.initials: S
authors.lastname: Liu
authors.forename: Hai
authors.initials: H
authors.lastname: Pang
mesh_terms: D000595:Amino Acid Sequence; D001426:Bacterial Proteins / Q000737:chemistry*; D002208:Caproates / Q000737:chemistry / Q000378:metabolism; D020134:Catalytic Domain; D018360:Crystallography, X-Ray; D004950:Esterases / Q000737:chemistry*; D006868:Hydrolysis; D008958:Models, Molecular; D008969:Molecular Sequence Data; D009169:Mycobacterium tuberculosis / Q000201:enzymology*; D017433:Protein Structure, Secondary; D017434:Protein Structure, Tertiary; D016415:Sequence Alignment; D040681:Structural Homology, Protein
chemical_list: D001426:Bacterial Proteins; D002208:Caproates; D004950:Esterases