1tqf

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|PDB= 1tqf |SIZE=350|CAPTION= <scene name='initialview01'>1tqf</scene>, resolution 1.80&Aring;
|PDB= 1tqf |SIZE=350|CAPTION= <scene name='initialview01'>1tqf</scene>, resolution 1.80&Aring;
|SITE=
|SITE=
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|LIGAND= <scene name='pdbligand=32P:3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE'>32P</scene>
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|LIGAND= <scene name='pdbligand=32P:3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL+PHENYLMETHANESULFONATE'>32P</scene>
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|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]
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|ACTIVITY= <span class='plainlinks'>[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] </span>
|GENE= BACE1, BACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
|GENE= BACE1, BACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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|DOMAIN=
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1tqf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1tqf OCA], [http://www.ebi.ac.uk/pdbsum/1tqf PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1tqf RCSB]</span>
}}
}}
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[[Category: Kuo, L.]]
[[Category: Kuo, L.]]
[[Category: Munshi, S.]]
[[Category: Munshi, S.]]
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[[Category: 32P]]
 
[[Category: aspartyl protease]]
[[Category: aspartyl protease]]
[[Category: bace]]
[[Category: bace]]
[[Category: hydrolase]]
[[Category: hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 14:21:47 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:59:40 2008''

Revision as of 20:59, 30 March 2008

Image:1tqf.gif


PDB ID 1tqf

Drag the structure with the mouse to rotate
, resolution 1.80Å
Ligands:
Gene: BACE1, BACE (Homo sapiens)
Activity: Memapsin 2, with EC number 3.4.23.46
Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Crystal structure of human Beta secretase complexed with inhibitor


Overview

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.

About this Structure

1TQF is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

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

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