Structural models for the complex of chemotaxis inhibitory protein of Staphylococcus aureus with the C5a receptor.

ABSTRACT: The study presents structural models for the complex of the chemotaxis inhibitory protein of Staphylococcus aureus, CHIPS, and receptor for anaphylotoxin C5a, C5aR. The models are based on the recently found NMR structure of the complex between CHIPS fragment 31-121 and C5aR fragment 7-28, as well as on previous results of molecular modeling of C5aR. Simple and straightforward modeling procedure selected low-energy conformations of the C5aR fragment 8-41 that simultaneously fit the NMR structure of the C5aR 10-18 fragment and properly orient the NMR structure of CHIPS(31-121) relative to C5aR. Extensive repacking of the side chains of CHIPS(31-121) and C5aR(8-41) predicted specific residue-residue interactions on the interface between CHIPS and C5aR. Many of these interactions were rationa

SUBMITTER: Nikiforovich GV 

PROVIDER: S-EPMC2787753 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature