Claims
- 1. A crystal comprising LuxP.
- 2. The crystal of claim 1 comprising a LuxP-ligand complex, the crystal diffracting X-rays to a resolution of greater than 5.0 Angstroms.
- 3. The crystal of claim 2 wherein the resolution is greater than 2.8 Å.
- 4. The crystal of claim 2 wherein the resolution is greater than 1.5 Å.
- 5. The crystal of claim 2 in which the ligand comprises boron.
- 6. The crystal of claim 2, in which the ligand comprises a furan moiety.
- 7. The crystal of claim 2, in which the ligand comprises autoinducer-2.
- 8. The crystal of claim 7 in which the ligand has the chemical formula:
- 9. A method of using the crystal of claim 1 to identify whether a ligand binds to LuxP, comprising
obtaining the atomic coordinates in the crystal of at least a selected portion of LuxP; using the atomic coordinates to model the selected portion; identifying a potential ligand; and docking the potential ligand to the selected portion of LuxP.
- 10. The method of claim 9, wherein the selected portion comprises an amino acid residue selected from the group consisting of Trp 82, Gln 77, Ser 79, Asp 267, Thr 266, Trp 289, Arg 310, Arg 215, and Asn 159 according to Table 1.
- 11. The method of claim 9 in which information regarding the selected portion is stored on a computer.
- 12. The method of claim 9 in which a computer is used for the identifying of the potential ligand or the docking of the potential ligand to the binding site, or both.
- 13. The method of claim 9, further comprising obtaining a sample of the potential ligand and contacting the sample with a prokaryotic cell.
- 14. A ligand identified by the method of claim 9.
- 15. A pharmaceutical composition comprising the ligand of claim 14.
- 16. The pharmaceutical composition of claim 15 in which the ligand is a compound having the chemical formula:
- 17. A method of treatment comprising administering the pharmaceutical composition of claim 15 to a human in an amount that is therapeutically effective to treat a bacterial infection.
RELATED APPLICATION INFORMATION
[0001] This application claims priority to U.S. Provisional Application Serial No. 60/314,705, filed Aug. 24, 2001, which is hereby incorporated by reference in its entirety.
[0002] This application is related to U.S. patent application Ser. No. [Attorney Docket No. QUOREX.0110], filed Aug. 22, 2002, which is hereby incorporated by reference in its entirety.
FEDERAL FUNDING
[0003] This invention was funded in part through grants from the National Institutes of Health, the National Science Foundation, and the Office of Naval Research. Therefore, the federal government has certain rights in this invention.
Provisional Applications (1)
|
Number |
Date |
Country |
|
60314705 |
Aug 2001 |
US |