2by4
From Proteopedia
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|PDB= 2by4 |SIZE=350|CAPTION= <scene name='initialview01'>2by4</scene>, resolution 3.30Å | |PDB= 2by4 |SIZE=350|CAPTION= <scene name='initialview01'>2by4</scene>, resolution 3.30Å | ||
|SITE= <scene name='pdbsite=AC1:Na+Binding+Site+For+Chain+A'>AC1</scene> | |SITE= <scene name='pdbsite=AC1:Na+Binding+Site+For+Chain+A'>AC1</scene> | ||
| - | |LIGAND= <scene name='pdbligand= | + | |LIGAND= <scene name='pdbligand=ACP:PHOSPHOMETHYLPHOSPHONIC+ACID+ADENYLATE+ESTER'>ACP</scene>, <scene name='pdbligand=AD4:(3S,3AR,4S,6S,6AR,7S,8S,9BS)-6-(ACETYLOXY)-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-{[(2Z)-2-METHYLBUT-2-ENOYL]OXY}-7-(OCTANOYLOXY)-2-OXO-2,3,3A,4,5,6,6A,7,8,9B-DECAHYDROAZULENO[4,5-B]FURAN-4-YL+12-[(TERT-BUTOXYCARBONYL)AMINO]DODECANOATE'>AD4</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Calcium-transporting_ATPase Calcium-transporting ATPase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.3.8 3.6.3.8] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Calcium-transporting_ATPase Calcium-transporting ATPase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.3.8 3.6.3.8] </span> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2by4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2by4 OCA], [http://www.ebi.ac.uk/pdbsum/2by4 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2by4 RCSB]</span> | ||
}} | }} | ||
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[[Category: Olsen, C E.]] | [[Category: Olsen, C E.]] | ||
[[Category: Soehoel, H.]] | [[Category: Soehoel, H.]] | ||
| - | [[Category: ACP]] | ||
| - | [[Category: AD4]] | ||
| - | [[Category: MG]] | ||
| - | [[Category: NA]] | ||
[[Category: atp-binding]] | [[Category: atp-binding]] | ||
[[Category: ca2+-atpase]] | [[Category: ca2+-atpase]] | ||
| Line 49: | Line 48: | ||
[[Category: phosphorylation]] | [[Category: phosphorylation]] | ||
[[Category: prostate cancer]] | [[Category: prostate cancer]] | ||
| - | [[Category: sarcoplasmic reticulum]] | + | [[Category: sarcoplasmic reticulum,transmembrane]] |
[[Category: serca]] | [[Category: serca]] | ||
[[Category: thapsigargin]] | [[Category: thapsigargin]] | ||
| - | [[Category: transmembrane]] | ||
[[Category: transport]] | [[Category: transport]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:13:28 2008'' |
Revision as of 23:13, 30 March 2008
| |||||||
| , resolution 3.30Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | |||||||
| Ligands: | , , , | ||||||
| Activity: | Calcium-transporting ATPase, with EC number 3.6.3.8 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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. 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 Mon Mar 31 02:13:28 2008
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. | 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,transmembrane | Serca | Thapsigargin | Transport
