Brand  (β version)

PDB ID: 4B00

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Ligands
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ACT Acetate ion PoSSuM
I6X 5-{(1r)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1h-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1h)-one PoSSuM
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Structure summary

Code : 4B00   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND (R)-41)
Release Data : 2012-10-17
Compound :
mol_id molecule chains synonym
1 BETA-SECRETASE 1 A ASPARTYL PROTEASE 2, ASP2, BETA-SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME 1, BETA-SITE APP CLEAVING ENZYME 1, MEMAPSIN-2, MEMBRANE-ASSOCIATED ASPARTIC PROTEASE 2
ec: 3.4.23.46
fragment: RESIDUES 43-453
mutation: YES
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN ESCHERICHIA COLI  (taxid:562)
expression_system_vector_type: PLASMID
expression_system_vector: PET11A
Authors : Swahn, B.M., Kolmodin, K., Karlstrom, S., von Berg, S., Soderman, P., Holenz, J., Berg, S., Lindstrom, J., Sundstrom, M., Turek, D., Kihlstrom, J., Slivo, C., Andersson, L., Pyring, D., Ohberg, L., Kers, A., Bogar, K., Bergh, M., Olsson, L.L., Janson, J., Eketjall, S., Georgievska, B., Jeppsson, F., Falting, J.
Keywords : HYDROLASE, AMINOISOINDOLE, ALZHEIMER'S DISEASE
Exp. method : X-RAY DIFFRACTION ( 1.83 Å )
Citation :

Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.

Swahn, B.M.,Kolmodin, K.,Karlstrom, S.  et al.
(2012)  J. Med. Chem.  55 : 9346 - 9361

PubMed: 22924815
DOI: 10.1021/jm3009025

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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