title: Profiles of ILY, VLY and Sm-hPAF interaction with human CD59.
abstract: BACKGROUND
  The molecular features of a new member of the bacterially -derived cytolysin family were examined. In particular, the interactive mechanisms of intermedilysin (ILY), vaginolysin (VLY), and Streptococcus mitis-derived human platelet aggregation factor (Sm-hPAF) with human CD59 (hCD59) were analyzed.
  
  
  METHODS
  Molecular models of VLY and Sm-hPAF were constructed based on X-ray data of ILY (protein data bank ID=1S3R), and their interactive profiles with hCD59 were examined using molecular simulation.
  
  
  RESULTS
  Non-binding (NB) energy between ILY and hCD59 was three orders of magnitude higher than the energy between VLY and hCD59. NB energy between Sm-hPAF and hCD59 was similar to that between VLY and hCD59.
  
  
  CONCLUSIONS
  A hydrogen bond (ILY Arg432-hCD59 Glu76) was observed between ILY and hCD59, and a stronger interaction was formed by flexible adjustment between them.
authors.affiliation: Faculty of Pharmaceutical Sciences, Suzuka University of Medical Science, 3500-3 Minamitamagaki-cho, Suzuka, Mie 513-8670, Japan. kohkura@suzuka-u.ac.jp
authors.forename: Yuki
authors.initials: Y
authors.lastname: Kawaguchi
authors.forename: Atsushi
authors.initials: A
authors.lastname: Tabata
authors.forename: Hideaki
authors.initials: H
authors.lastname: Nagamune
authors.forename: Kazuto
authors.initials: K
authors.lastname: Ohkura
mesh_terms: D001426:Bacterial Proteins / Q000737:chemistry / Q000378:metabolism*; D001427:Bacterial Toxins / Q000737:chemistry / Q000378:metabolism*; D001430:Bacteriocins / Q000737:chemistry / Q000378:metabolism*; D018957:CD59 Antigens / Q000737:chemistry / Q000378:metabolism*; D018360:Crystallography, X-Ray; D006801:Humans; D008958:Models, Molecular; D056004:Molecular Dynamics Simulation; D010975:Platelet Aggregation Inhibitors / Q000737:chemistry / Q000378:metabolism*; D011487:Protein Conformation; D034361:Streptococcus mitis / Q000378:metabolism*
chemical_list: D001426:Bacterial Proteins; D001427:Bacterial Toxins; D001430:Bacteriocins; D018957:CD59 Antigens; D010975:Platelet Aggregation Inhibitors; C403910:intermedilysin protein, Streptococcus intermedius; C542392:vaginolysin, Gardnerella vaginalis; C051590:CD59 protein, human
keywords: CD59; Cytolysin; ILY; Sm-hPAF; VLY; cholesterol-independent; human-specific