2g94
From Proteopedia
(New page: 200px<br /> <applet load="2g94" size="450" color="white" frame="true" align="right" spinBox="true" caption="2g94, resolution 1.86Å" /> '''Crystal structure o...) |
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| - | [[Image:2g94.gif|left|200px]]<br /> | + | [[Image:2g94.gif|left|200px]]<br /><applet load="2g94" size="350" color="white" frame="true" align="right" spinBox="true" |
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caption="2g94, resolution 1.86Å" /> | caption="2g94, resolution 1.86Å" /> | ||
'''Crystal structure of beta-secretase bound to a potent and highly selective inhibitor.'''<br /> | '''Crystal structure of beta-secretase bound to a potent and highly selective inhibitor.'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2G94 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with ZPQ as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Full crystallographic information is available from [http:// | + | 2G94 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=ZPQ:'>ZPQ</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2G94 OCA]. |
==Reference== | ==Reference== | ||
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[[Category: protease inhibitor]] | [[Category: protease inhibitor]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:29:22 2008'' |
Revision as of 15:29, 21 February 2008
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Crystal structure of beta-secretase bound to a potent and highly selective inhibitor.
Overview
Structure-based design, synthesis, and X-ray structure of protein-ligand complexes of memapsin 2 are described. The inhibitors are designed specifically to interact with S2- and S3-active site residues to provide selectivity over memapsin 1 and cathepsin D. Inhibitor 6 has exhibited exceedingly potent inhibitory activity against memapsin 2 and selectivity over memapsin 1 (>3800-fold) and cathepsin D (>2500-fold). A protein-ligand crystal structure revealed cooperative interactions in the S2- and S3-active sites of memapsin 2. These interactions may serve as an important guide to design selectivity over memapsin 1 and cathepsin D.
About this Structure
2G94 is a Single protein structure of sequence from Homo sapiens with as ligand. Active as Memapsin 2, with EC number 3.4.23.46 Full crystallographic information is available from OCA.
Reference
Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors., Ghosh AK, Kumaragurubaran N, Hong L, Lei H, Hussain KA, Liu CF, Devasamudram T, Weerasena V, Turner R, Koelsch G, Bilcer G, Tang J, J Am Chem Soc. 2006 Apr 26;128(16):5310-1. PMID:16620080
Page seeded by OCA on Thu Feb 21 17:29:22 2008
Categories: Homo sapiens | Memapsin 2 | Single protein | Ghosh, A. | Hong, L. | Tang, J. | ZPQ | Alzheimer's disease | Asp2 | Aspartic protease | Bace | Beta secretase | Drug design | Memapsin | Protease inhibitor
