2F3E

Crystal Structure of the Bace complex with AXQ093, a macrocyclic inhibitor

Summary for 2F3E

Entry DOI	10.2210/pdb2f3e/pdb
Related	2F3F
Descriptor	Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER (3 entities in total)
Functional Keywords	beta-secretase, memapsin2, alzheimer's disease, aspartic protease, macrocyclic peptidomimetic inhibitor, hydrolase
Biological source	Homo sapiens (human)
Cellular location	Membrane; Single-pass type I membrane protein: P56817
Total number of polymer chains	3
Total formula weight	136353.79
Authors	Rondeau, J.-M. (deposition date: 2005-11-21, release date: 2006-09-05, Last modification date: 2017-10-18)
Primary citation	Hanessian, S.,Yang, G.,Rondeau, J.-M.,Neumann, U.,Betschart, C.,Tintelnot-Blomley, M. Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE). J.Med.Chem., 49:4544-4567, 2006 Cited by PubMed: 16854060 DOI: 10.1021/jm060154a PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.11 Å)

Structure validation