Brand  (β version)

PDB ID: 4FM7

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Ligands
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0UP 4-{[(5r,7s)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol PoSSuM
ZN Zinc ion PoSSuM
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Structure summary

Code : 4FM7   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Crystal Structure of BACE with Compound 14g
Release Data : 2012-10-03
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 58-453
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
Authors : Vajdos, F.F., Varghese, A.H.
Keywords : aspartyl protease, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.5600 Å )
Citation :

Spirocyclic sulfamides as beta-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors.

Brodney, M.A.,Barreiro, G.,Ogilvie, K.  et al.
(2012)  J.Med.Chem.  55 : 9224 - 9239

PubMed: 22984865
DOI: 10.1021/jm3009426

High yield expression of human BACE constructs in Eschericia coli for refolding, purification, and high resolution diffracting crystal forms.

Tomasselli, A.G.,Paddock, D.J.,Emmons, T.L.  et al.
(2008)  Protein Pept.Lett.  15 : 131 - 143

PubMed: 18289105

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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