1W51

BACE (Beta Secretase) in complex with a nanomolar non-peptidic inhibitor

Summary for 1W51

• Entry DOI: 10.2210/pdb1w51/pdb
• Related: 1FKN 1M4H 1PY1 1SGZ 1UJJ 1UJK 1W50
• Descriptor: BETA-SECRETASE 1, IODIDE ION, 3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE, ... (4 entities in total)
• Functional Keywords: hydrolase/inhibitor, hydrolase-inhibitor complex, alternative splicing, alzheimer's disease, aspartic protease, aspartyl protease, base, beta-secretase, glycoprotein, hydrolase, memapsin 2, transmembrane, zymogen
• Biological source: HOMO SAPIENS (HUMAN)
• Cellular location: Membrane; Single-pass type I membrane protein: P56817
• Total number of polymer chains: 1
• Total formula weight: 46861.75

Authors

Patel, S.,Vuillard, L.,Cleasby, A.,Murray, C.W.,Yon, J. (deposition date: 2004-08-04, release date: 2004-09-23, Last modification date: 2024-10-23)

Primary citation

Patel, S.,Vuillard, L.,Cleasby, A.,Murray, C.W.,Yon, J.
Apo and Inhibitor Complex Structures of Bace (Beta-Secretase)
J.Mol.Biol., 343:407-, 2004

PubMed Abstract: Human BACE, also known as beta-secretase, shows promise as a potential therapeutic target for Alzheimer's disease. We determined the apo structure of BACE to 1.75 A, and a structure of a hydroxyethylamine inhibitor complex derived by soaking. These show significant active-site movements compared to previously described BACE structures. Additionally, the structures reveal two pockets that could be targeted by structure-based drug design.

PubMed: 15451669
DOI: 10.1016/J.JMB.2004.08.018

Experimental method

X-RAY DIFFRACTION (2.55 Å)