Brand  (β version)

PDB ID: 3KYR

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Ligands
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038 3-[[(2s)-2-[[[(2s)-2-[[(2s)-2-[[(2s)-2-azanyl-3-(1h-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid PoSSuM
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Structure summary

Code : 3KYR   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Bace-1 in complex with a norstatine type inhibitor
Release Data : 2010-12-29
Compound :
mol_id molecule chains synonym
1 Beta-secretase 1 A,B,C Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2
ec: 3.4.23.46
fragment: UNP RESIDUES 42-446
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: BACE1, BACE, KIAA1149
expression_system_strain: BL21(DE3)
expression_system_plasmid: pET11a
Authors : Lindberg, J.D., Borkakoti, N., Derbyshire, D., Nystrom, S.
Keywords : Bace, Beta-secretase, Memapsin-2, aspartyl protease, inhibitor, norstatine, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.600 Å )
Citation :

Investigation of a-phenylnorstatine and a-benzylnorstatine as transition state isostere motifs in the search for new BACE-1 inhibiotrs

Wangsell, F.,Nordeman, P.,Savmarker, J.  et al.
To be Published 

Reaction

Chain : A, B, C
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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