title: Refined structure of the complex between guanylate kinase and its substrate GMP at 2.0 A resolution.
abstract: The crystal structure of guanylate kinase from Saccharomyces cerevisiae complexed with its substrate GMP has been refined at a resolution of 2.0 A. The final crystallographic R-factor is 17.3% in the resolution range 7.0 A to 2.0 A for all reflections of the 100% complete data set. The final model has standard geometry with root-mean-square deviations of 0.016 A in bond lengths and 3.0 in bond angles. It consists of all 186 amino acid residues, the N-terminal acetyl group, the substrate GMP, one sulfate ion and 174 water molecules. Guanylate kinase is structurally related to adenylate kinases and G-proteins with respect to its central beta-sheet with connecting helices and the giant anion hole that binds nucleoside triphosphates. These nucleotides are ATP and GTP for the kinases and GTP for the G-proteins. The chain segment binding the substrate GMP of guanylate kinase differs grossly from the respective part of the adenylate kinases; it has no counterpart in the G-proteins. The binding mode of GMP is described in detail. Probably, the observed structure represents one of several structurally quite different intermediate states of the catalytic cycle.
authors.affiliation: Institut für Organische Chemie und Biochemie der Universität, Freiburg, Germany.
authors.forename: T
authors.initials: T
authors.lastname: Stehle
authors.forename: G E
authors.initials: GE
authors.lastname: Schulz
mesh_terms: D000255:Adenosine Triphosphate / Q000378:metabolism; D000263:Adenylate Kinase / Q000648:ultrastructure; D000595:Amino Acid Sequence; D001665:Binding Sites; D003461:Crystallography; D019204:GTP-Binding Proteins / Q000648:ultrastructure; D006157:Guanosine Monophosphate / Q000378:metabolism; D051528:Guanylate Kinases; D008958:Models, Molecular; D008969:Molecular Sequence Data; D009038:Motion; D009703:Nucleoside-Phosphate Kinase / Q000648:ultrastructure*; D011487:Protein Conformation; D012441:Saccharomyces cerevisiae / Q000201:enzymology; D012997:Solvents; D013431:Sulfates / Q000378:metabolism; D013696:Temperature; D014867:Water; D014961:X-Ray Diffraction
chemical_list: D012997:Solvents; D013431:Sulfates; D014867:Water; D006157:Guanosine Monophosphate; D000255:Adenosine Triphosphate; D000263:Adenylate Kinase; D009703:Nucleoside-Phosphate Kinase; D051528:Guanylate Kinases; D019204:GTP-Binding Proteins