title: The X-ray structure of Salmonella typhimurium uridine nucleoside phosphorylase complexed with 2,2'-anhydrouridine, phosphate and potassium ions at 1.86 A resolution.
abstract: Uridine nucleoside phosphorylase is an important drug target for the development of anti-infective and antitumour agents. The X-ray crystal structure of Salmonella typhimurium uridine nucleoside phosphorylase (StUPh) complexed with its inhibitor 2,2'-anhydrouridine, phosphate and potassium ions has been solved and refined at 1.86 A resolution (R(cryst) = 17.6%, R(free) = 20.6%). The complex of human uridine phosphorylase I (HUPhI) with 2,2'-anhydrouridine was modelled using a computational approach. The model allowed the identification of atomic groups in 2,2'-anhydrouridine that might improve the interaction of future inhibitors with StUPh and HUPhI.
authors.affiliation: A. V. Shubnikov Institute of Crystallography, Russian Academy of Sciences, 59 Leninsky Prospect, 119333 Moscow, Russia.
authors.forename: Alexander A
authors.initials: AA
authors.lastname: Lashkov
authors.forename: Nadezhda E
authors.initials: NE
authors.lastname: Zhukhlistova
authors.forename: Azat H
authors.initials: AH
authors.lastname: Gabdoulkhakov
authors.forename: Alexander A
authors.initials: AA
authors.lastname: Shtil
authors.forename: Roman G
authors.initials: RG
authors.lastname: Efremov
authors.forename: Christian
authors.initials: C
authors.lastname: Betzel
authors.forename: Al'bert M
authors.initials: AM
authors.lastname: Mikhailov
mesh_terms: D001426:Bacterial Proteins / Q000737:chemistry* / Q000378:metabolism; D003460:Crystallization; D018360:Crystallography, X-Ray; D006801:Humans; D007477:Ions / Q000737:chemistry; D046911:Macromolecular Substances / Q000737:chemistry*; D010710:Phosphates / Q000737:chemistry; D011188:Potassium / Q000737:chemistry; D011487:Protein Conformation; D012486:Salmonella typhimurium / Q000201:enzymology*; D014529:Uridine / Q000031:analogs & derivatives / Q000737:chemistry* / Q000494:pharmacology; D014543:Uridine Phosphorylase / Q000737:chemistry* / Q000378:metabolism
chemical_list: D001426:Bacterial Proteins; D007477:Ions; D046911:Macromolecular Substances; D010710:Phosphates; D014543:Uridine Phosphorylase; D011188:Potassium; D014529:Uridine