Abstract
MOUTRAN, A. Molecular modeling of molibdate (ModA) and oligopeptide (OppA) uptake proteins in Xanthomonas axonopodis pv. citri. 122 f. Tese (Doutorado em Microbiologia) Instituto de Ciencias Biomedicas, Universidade de Sao Paulo, Sao Paulo, 2009. ABC transport system are responsable for the uptake of a large variety of substrates, including oligopeptides and molybdate. In this work we studied two ABC transporter systems (mod and opp responsable for molybdate and oligopeptide uptake, respectively) present in plant pathogen Xanthomonas axonopodis pv. citri (Xac). We investigated the genetic organization of mod operon and, particularly, structural feature of periplasmic components, ModA and OppA proteins, of the uptake systems. Using molecular modeling techniques, we defined the structural models of both ModA and OppA proteins. Based on the ModA structural model, amino acid residues involved in molybdate interaction were identified. In addition, both the structural and sequence similarities of Xac ModA and other bacterial orthologs with experimentally defined structural organizations were described. Based on the OppA structural model, we applied molecular docking tools to determine the binding specificity for different oligopeptide regarding number and amino acid composition. Collectively, our results represent an important contribution to the study of ABC transporters in an economically relevant phytopathogen bacterial species. Key word: OppA. ModA. Molecular modeling. Xanthomonas axonopodis pv. citri, ABC Transporters.
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