2by4
From Proteopedia
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SR CA(2+)-ATPASE IN THE HNE2 STATE COMPLEXED WITH THE THAPSIGARGIN DERIVATIVE BOC-12ADT.
Overview
An analysis of the binding of the, 8-O-N-tert-butoxycarbonyl-12-aminododecanoyl derivative of, 8-O-debutanoylthapsigargin to the target molecule, the SERCA pump, has, revealed the importance of the length and flexibility of the side chain, attached to O-8. Based on the analysis a series of analogues to the, 2-unsubstituted analogue trilobolide has been constructed and shown to be, equipotent with thapsigargin as SERCA inhibitors. Only the, 12-Boc-aminododecaonoyl derivative, however, was found to be apoptotic.
About this Structure
2BY4 is a [Single protein] structure of sequence from [Oryctolagus cuniculus] with MG, NA, AD4 and ACP as [ligands]. Active as [Calcium-transporting ATPase], with EC number [3.6.3.8]. Structure known Active Site: AC1. Full crystallographic information is available from [OCA].
Reference
Natural products as starting materials for development of second-generation SERCA inhibitors targeted towards prostate cancer cells., Sohoel H, Jensen AM, Moller JV, Nissen P, Denmeade SR, Isaacs JT, Olsen CE, Christensen SB, Bioorg Med Chem. 2006 Apr 15;14(8):2810-5. Epub 2006 Jan 10. PMID:16412648
Page seeded by OCA on Tue Oct 30 16:51:50 2007
Categories: Calcium-transporting ATPase | Oryctolagus cuniculus | Single protein | Christensen, S.B. | Denmeade, S.R. | Isaacs, J.T. | Jensen, A.L. | Moller, J.V. | Nissen, P. | Olsen, C.E. | Soehoel, H. | ACP | AD4 | MG | NA | Atp-binding | Ca2+-atpase | Calcium | Calcium transport | Endoplasmic reticulum | Hydrolase | Ion transport | Magnesium | Metal-binding | Multigene family | Nucleotide-binding | P-type atpase | Phosphorylation | Prostate cancer | Sarcoplasmic reticulum | Serca | Thapsigargin | Transmembrane | Transport
