Brand  (β version)

PDB ID: 2VIJ

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Ligands
Code Name Style Show Link
C44 N-{(1s,2r)-1-benzyl-2-hydroxy-3-[(1s)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide PoSSuM
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Structure summary

Code : 2VIJ   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(1,2,3,4- tetrahydro-1-naphthalenylamino)propyl)benzamide
Release Data : 2008-01-29
Compound :
mol_id molecule chains synonym
1 BETA-SECRETASE 1 A BETA-SITE APP CLEAVING ENZYME 1, BETA-SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME 1, MEMBRANE-ASSOCIATED ASPARTIC PROTEASE 2, MEMAPSIN-2, ASPARTYL PROTEASE 2, ASP 2, ASP2, BACE-1
ec: 3.4.23.46
fragment: RESIDUES 61-452
mutation: YES
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN CRICETULUS GRISEUS  (taxid:10029)
expression_system_tissue: OVARY
Authors : Beswick, P., Charrier, N., Clarke, B., Demont, E., Dingwall, C., Dunsdon, R., Faller, A., Gleave, R., Hawkins, J., Hussain, I., Johnson, C.N., Macpherson, D., Maile, G., Matico, R., Milner, P., Mosley, J., Naylor, A., O'Brien, A., Redshaw, S., Riddell, D., Rowland, P., Skidmore, J., Soleil, V., Smith, K.J., Stanway, S., Stemp, G., Stuart, A., Sweitzer, S., Theobald, P., Vesey, D., Walter, D.S., Ward, J., Wayne, G.
Keywords : ALTERNATIVE SPLICING, BETA-SITE APP CLEAVING ENZYME, BETA-SECRETASE, ASPARTYL PROTEASE, ASP-2, BACE-1, ZYMOGEN, PROTEASE, MEMBRANE, HYDROLASE, MEMAPSIN-2, GLYCOPROTEIN, TRANSMEMBRANE
Exp. method : X-RAY DIFFRACTION ( 1.60 Å )
Citation :

Bace-1 Inhibitors Part 3: Identification of Hydroxy Ethylamines (Heas) with Nanomolar Potency in Cells.

Beswick, P.,Charrier, N.,Clarke, B.  et al.
(2008)  Bioorg.Med.Chem.Lett.  18 : 1022

PubMed: 18171615
DOI: 10.1016/J.BMCL.2007.12.020

Reaction

Chain : A
UniProt : P56817 (BACE1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
Broad endopeptidase specificity. Cleaves Glu-Val-Asn-Leu-|- Asp-Ala-Glu-Phe in the Swedish variant of Alzheimer's amyloid precursor protein. 3.4.23.46 PubMed:10677483
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