title: Structure and function prediction of the Brucella abortus P39 protein by comparative modeling with marginal sequence similarities.
abstract: A methodology is proposed to solve a difficult modeling problem related to the recently sequenced P39 protein. This sequence shares no similarity with any known 3D structure, but a fold is proposed by several threading tools. The difficulty in aligning the target sequence on one of the proposed template structures is overcome by combining the results of several available prediction methods and by refining a rational consensus between them. In silico validation of the obtained model and a preliminary cross-check with experimental features allow us to state that this borderline prediction is at least reasonable. This model raises relevant hypotheses on the main structural features of the protein and allows the design of site-directed mutations. Knowing the genetic context of the P39 reading frame, we are now able to suggest a function for the P39 protein: it would act as a periplasmic substrate-binding protein.
authors.affiliation: Unité de Recherche en Biologie Moléculaire, Facultés Universitaires Notre-Dame de la Paix, Namur, Belgium. Katalin.deFays@FUNDP.ac.be
authors.forename: K
authors.initials: K
authors.lastname: de Fays
authors.forename: A
authors.initials: A
authors.lastname: Tibor
authors.forename: C
authors.initials: C
authors.lastname: Lambert
authors.forename: C
authors.initials: C
authors.lastname: Vinals
authors.forename: P
authors.initials: P
authors.lastname: Denoël
authors.forename: X
authors.initials: X
authors.lastname: De Bolle
authors.forename: J
authors.initials: J
authors.lastname: Wouters
authors.forename: J J
authors.initials: JJ
authors.lastname: Letesson
authors.forename: E
authors.initials: E
authors.lastname: Depiereux
mesh_terms: D000595:Amino Acid Sequence; D001426:Bacterial Proteins; D002003:Brucella abortus / Q000378:metabolism*; D002352:Carrier Proteins / Q000737:chemistry / Q000378:metabolism*; D008565:Membrane Proteins / Q000737:chemistry / Q000378:metabolism*; D008958:Models, Molecular; D008969:Molecular Sequence Data; D016366:Open Reading Frames; D033902:Periplasmic Binding Proteins; D017433:Protein Structure, Secondary; D017386:Sequence Homology, Amino Acid; D013329:Structure-Activity Relationship
chemical_list: D001426:Bacterial Proteins; D002352:Carrier Proteins; D008565:Membrane Proteins; D033902:Periplasmic Binding Proteins; C119927:p39 protein, Brucella