6C2I

Structure of Bace-1 (Beta-Secretase) in complex with : N-(3-((1R,5S,6R)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide

Summary for 6C2I

Entry DOI	10.2210/pdb6c2i/pdb
Descriptor	Beta-secretase 1, IODIDE ION, GLYCEROL, ... (6 entities in total)
Functional Keywords	bace, beta-secretase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Membrane; Single-pass type I membrane protein: P56817
Total number of polymer chains	1
Total formula weight	46854.77
Authors	Sickmier, E.A. (deposition date: 2018-01-08, release date: 2018-02-21, Last modification date: 2023-10-04)
Primary citation	Low, J.D.,Bartberger, M.D.,Cheng, Y.,Whittington, D.,Xue, Q.,Wood, S.,Allen, J.R.,Minatti, A.E. Diastereoselective synthesis of fused cyclopropyl-3-amino-2,4-oxazine beta-amyloid cleaving enzyme (BACE) inhibitors and their biological evaluation. Bioorg. Med. Chem. Lett., 28:1111-1115, 2018 Cited by PubMed: 29426770 DOI: 10.1016/j.bmcl.2018.01.056 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.95 Å)

Structure validation