Sandbox16
From Proteopedia
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| 1tqf, resolution 1.80Å () | |||||||||
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| Ligands: | |||||||||
| Gene: | BACE1, BACE (Homo sapiens) | ||||||||
| Activity: | Memapsin 2, with EC number 3.4.23.46 | ||||||||
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||
Contents |
Protein: human Beta secretase complexed with inhibitor (1tqf)
By Amit Shavit and Nikola Finneran
Protein
A small molecule nonpeptide inhibitor of beta-secretase has been developed, and its binding has been defined through crystallographic determination of the enzyme-inhibitor complex. The molecule is shown to bind to the catalytic aspartate residues in an unprecedented manner in the field of aspartyl protease inhibition. Additionally, the complex reveals a heretofore unknown S(3) subpocket that is created by the inhibitor. This structure has served an important role in the design of newer beta-secretase inhibitors. (http://www.proteopedia.org/wiki/index.php/1tqf)
Structure
Our protein is mostly composed of (shown in red) and (shown in blue) which contain some of the (shown in purple). The in the center is highlighted in yellow.
References
Identification of a small molecule nonpeptide active site beta-secretase inhibitor that displays a nontraditional binding mode for aspartyl proteases., Coburn CA, Stachel SJ, Li YM, Rush DM, Steele TG, Chen-Dodson E, Holloway MK, Xu M, Huang Q, Lai MT, DiMuzio J, Crouthamel MC, Shi XP, Sardana V, Chen Z, Munshi S, Kuo L, Makara GM, Annis DA, Tadikonda PK, Nash HM, Vacca JP, Wang T, J Med Chem. 2004 Dec 2;47(25):6117-9. PMID:15566281
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
