Molecular docking of celastrol with Hsp90 and Hsp90-Cdc37 complex.

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Presentation transcript:

Molecular docking of celastrol with Hsp90 and Hsp90-Cdc37 complex. Molecular docking of celastrol with Hsp90 and Hsp90-Cdc37 complex. A, chemical structure of celastrol. B, ribbon view of the Hsp90-Cdc37 X-ray structure with the solvent accessible surface of the Hsp90-Cdc37 interface. C, ribbon view and solvent accessible surface of the Hsp90-celastrol binding pocket. D, ribbon view of the Hsp90-celastrol binding pocket. Only amino acid residues close to celastrol are displayed for clarity. E, ribbon view of the Hsp90-Cdc37-celastrol binding pocket. Only amino acid residues close to celastrol are displayed for clarity. F, ribbon view of the superimposition of Hsp90-celastrol (brown) complex with the Hsp90-p23/Sba1 (blue) X-ray structure. AMPPNP, ATP analogue; yellow, “lid” segment for HSP90-celastrol; pink, “lid” segment for Hsp90-p23. The p23/Sba1 cochaperone that is also present in the crystal has been omitted for clarity. Tao Zhang et al. Mol Cancer Ther 2008;7:162-170 ©2008 by American Association for Cancer Research