Brand  (β version)

PDB ID: 4GMI

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Ligands
Code Name Style Show Link
0XA (4s,8e)-4-[(1r)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione PoSSuM
ACT Acetate ion PoSSuM
GOL Glycerol PoSSuM
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Structure summary

Code : 4GMI   PDBj   RCSB PDB   PDBe
Header : Hydrolase/Hydrolase inhibitor
Title : BACE-1 in complex with HEA-type macrocyclic inhibitor, MV078571
Release Data : 2013-09-04
Compound :
mol_id molecule chains synonym
1 Beta-secretase 1 A Aspartyl protease 2, ASP2, Asp 2, 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: unp residues 57-446
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: BACE1, BACE, KIAA1149
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET21
Authors : Lindberg, J.D., Derbyshire, D.
Keywords : BACE-1, ASP2, BACE, Macrocycle, Hydrolase, Hydrolase-Hydrolase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.8000 Å )
Citation :

Design and synthesis of novel BACE-1 inhibitors

Sandgren, V.,Belda, O.,Johansson, P.O.  et al.
To be Published 

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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