title: Analysis of the black-eyed pea trypsin and chymotrypsin inhibitor-alpha-chymotrypsin complex.
abstract: The black-eyed pea trypsin and chymotrypsin inhibitor (BTCI) is a member of the Bowman-Birk protease inhibitor (BBI) family. The three-dimensional model of the BTCI-chymotrypsin complex was built based on the homology to Bowman-Birk inhibitors with known structures. An extensive theoretical and experimental study of these known structures has been performed. The model confirms the ideas about Bowman-Birk inhibitor structure-function relations and agrees well with our experimental data (circular dichroism, IR and light scattering). The electrostatic potentials at the enzyme-inhibitor contact surface reveal a pattern of complementary electrostatic potentials from which mutations can be inferred that could give these inhibitors an altered specificity.
authors.affiliation: Department of Cellular Biology, University of Brasilia, DF, Brazil. sfreitas@cenargen.embrapa.br
authors.forename: S M
authors.initials: SM
authors.lastname: de Freitas
authors.forename: L V
authors.initials: LV
authors.lastname: de Mello
authors.forename: M C
authors.initials: MC
authors.lastname: da Silva
authors.forename: G
authors.initials: G
authors.lastname: Vriend
authors.forename: G
authors.initials: G
authors.lastname: Neshich
authors.forename: M M
authors.initials: MM
authors.lastname: Ventura
mesh_terms: D000595:Amino Acid Sequence; D001665:Binding Sites; D001704:Biopolymers / Q000737:chemistry; D002918:Chymotrypsin / Q000037:antagonists & inhibitors*; D018360:Crystallography, X-Ray; D007887:Fabaceae / Q000201:enzymology*; D008958:Models, Molecular; D008969:Molecular Sequence Data; D010940:Plant Proteins / Q000037:antagonists & inhibitors / Q000737:chemistry*; D010946:Plants, Medicinal; D016415:Sequence Alignment; D055672:Static Electricity; D014357:Trypsin / Q000737:chemistry*; D014361:Trypsin Inhibitors / Q000737:chemistry*
chemical_list: D001704:Biopolymers; D010940:Plant Proteins; D014361:Trypsin Inhibitors; D002918:Chymotrypsin; D014357:Trypsin