Structure of Bace-1 (Beta-Secretase) in complex with N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide
The structure was published by Kaller, M.R., Harried, S.S., Albrecht, B., et al., Patel, V., Zhong, W., and Hitchcock, S., in 2012 in a paper entitled "A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase." (abstract).
This crystal structure was determined using X-ray diffraction at a resolution of 2.5 Å and deposited in 2012.
The experimental data on which the structure is based was also deposited.
The PDB entry contains the structure of Beta-secretase 1. This molecule has the UniProt identifier P56817 (BACE1_HUMAN). The sample contained 411 residues which is < 90% of the natural sequence. Out of 411 residues 365 were observed and are deposited in the PDB.
It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.
The molecule is most likely monomeric.
The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):
This entry contains 1 unique UniProt protein: