title: Structure of human uropepsin at 2.45 A resolution.
abstract: The molecular structure of human uropepsin, an aspartic proteinase from the urine produced in the form of pepsinogen A in the gastric mucosa, has been determined by molecular replacement using human pepsin as the search model. Crystals belong to space group P2(1)2(1)2(1), with unit-cell parameters a = 50.99, b = 75.56, c = 89.90 A. Crystallographic refinement led to an R factor of 0.161 at 2.45 A resolution. The positions of 2437 non-H protein atoms in 326 residues have been determined and the model contains 143 water molecules. The structure is bilobal, consisting of two predominantly beta-sheet lobes which, as observed in other aspartic proteinases, are related by a pseudo-twofold axis. A model of the uropepsin-pepstatin complex has been constructed based on the high-resolution crystal structure of pepsin complexed with pepstatin.
authors.affiliation: Departamento de Física, IBILCE, UNESP, São José do Rio Preto, SP 15054-000, Brazil.
authors.forename: F
authors.initials: F
authors.lastname: Canduri
authors.forename: L G
authors.initials: LG
authors.lastname: Teodoro
authors.forename: V
authors.initials: V
authors.lastname: Fadel
authors.forename: C C
authors.initials: CC
authors.lastname: Lorenzi
authors.forename: V
authors.initials: V
authors.lastname: Hial
authors.forename: R A
authors.initials: RA
authors.lastname: Gomes
authors.forename: J R
authors.initials: JR
authors.lastname: Neto
authors.forename: W F
authors.initials: WF
authors.lastname: de Azevedo
mesh_terms: D000595:Amino Acid Sequence; D001665:Binding Sites; D002384:Catalysis; D003460:Crystallization; D018360:Crystallography, X-Ray; D010450:Endopeptidases / Q000737:chemistry*; D006801:Humans; D008958:Models, Molecular; D008969:Molecular Sequence Data; D010436:Pepstatins / Q000378:metabolism; D011487:Protein Conformation; D011786:Quality Control; D017386:Sequence Homology, Amino Acid; D013379:Substrate Specificity
chemical_list: D010436:Pepstatins; D010450:Endopeptidases; C100308:uropepsin; C031375:pepstatin