title: Crystallization and preliminary X-ray diffraction analysis of a myotoxic Lys49-PLA2 from Bothrops jararacussu venom complexed with p-bromophenacyl bromide.
abstract: For the first time, a non-catalytic and myotoxic Lys49-PLA2 (BthTX-I from Bothrops jararacussu venom) has been crystallized with BPB inhibitor. X-ray diffraction data were collected and electron-density calculations showed that the ligand is bound to the His48 residue. BthTX-I with His48 chemically modified by BPB shows strongly reduced myotoxic and cytotoxic activities. This suggests a biological correlation between the modification of His48, which is associated with catalytic activity of PLA2s, and other toxicological activities of Lys49-PLA2s.
authors.affiliation: Departamento de Física e Biofísica, Instituto de Biociências, UNESP, CP 510, CEP 18618-000, Botucatu-SP, Brazil.
authors.forename: D P
authors.initials: DP
authors.lastname: Marchi-Salvador
authors.forename: C A H
authors.initials: CA
authors.lastname: Fernandes
authors.forename: S F
authors.initials: SF
authors.lastname: Amui
authors.forename: A M
authors.initials: AM
authors.lastname: Soares
authors.forename: M R M
authors.initials: MR
authors.lastname: Fontes
mesh_terms: D000098:Acetophenones / Q000737:chemistry*; D000818:Animals; D017837:Bothrops; D002384:Catalysis; D003435:Crotalid Venoms / Q000737:chemistry*; D003460:Crystallization / Q000379:methods; D006639:Histidine / Q000737:chemistry; D010741:Phospholipases A / Q000737:chemistry* / Q000378:metabolism / Q000633:toxicity; D054467:Phospholipases A2; D012997:Solvents; D014961:X-Ray Diffraction
chemical_list: D000098:Acetophenones; D003435:Crotalid Venoms; D012997:Solvents; C078097:bothropstoxin; D006639:Histidine; D010741:Phospholipases A; D054467:Phospholipases A2; C006821:4-bromophenacyl bromide