1w51: Difference between revisions
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[[Image:1w51.gif|left|200px]] | [[Image:1w51.gif|left|200px]] | ||
'''BACE (BETA SECRETASE) IN COMPLEX WITH A NANOMOLAR NON-PEPTIDIC INHIBITOR''' | {{Structure | ||
|PDB= 1w51 |SIZE=350|CAPTION= <scene name='initialview01'>1w51</scene>, resolution 2.55Å | |||
|SITE= <scene name='pdbsite=AC1:L01+Binding+Site+For+Chain+A'>AC1</scene> | |||
|LIGAND= <scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene> and <scene name='pdbligand=L01:3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE'>L01</scene> | |||
|ACTIVITY= [http://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] | |||
|GENE= | |||
}} | |||
'''BACE (BETA SECRETASE) IN COMPLEX WITH A NANOMOLAR NON-PEPTIDIC INHIBITOR''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
1W51 is a [ | 1W51 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1W51 OCA]. | ||
==Reference== | ==Reference== | ||
Apo and inhibitor complex structures of BACE (beta-secretase)., Patel S, Vuillard L, Cleasby A, Murray CW, Yon J, J Mol Biol. 2004 Oct 15;343(2):407-16. PMID:[http:// | Apo and inhibitor complex structures of BACE (beta-secretase)., Patel S, Vuillard L, Cleasby A, Murray CW, Yon J, J Mol Biol. 2004 Oct 15;343(2):407-16. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15451669 15451669] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Memapsin 2]] | [[Category: Memapsin 2]] | ||
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[[Category: zymogen]] | [[Category: zymogen]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 14:52:15 2008'' | ||
Revision as of 12:52, 20 March 2008
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| 1w51, resolution 2.55Å | |||||||||||||
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| Sites: | AC1 | ||||||||||||
| Ligands: | IOD and L01 | ||||||||||||
| Activity: | Memapsin 2, with EC number 3.4.23.46 | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
BACE (BETA SECRETASE) IN COMPLEX WITH A NANOMOLAR NON-PEPTIDIC INHIBITOR
Overview
Human BACE, also known as beta-secretase, shows promise as a potential therapeutic target for Alzheimer's disease. We determined the apo structure of BACE to 1.75 A, and a structure of a hydroxyethylamine inhibitor complex derived by soaking. These show significant active-site movements compared to previously described BACE structures. Additionally, the structures reveal two pockets that could be targeted by structure-based drug design.
About this Structure
1W51 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Apo and inhibitor complex structures of BACE (beta-secretase)., Patel S, Vuillard L, Cleasby A, Murray CW, Yon J, J Mol Biol. 2004 Oct 15;343(2):407-16. PMID:15451669
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