BACE-1 complexed with compound 2

Summary for 3BUF

Related3BRA 3BUG 3BUH
DescriptorBeta-secretase 1, 4-[(2R)-2-aminopropyl]phenol (3 entities in total)
Functional Keywordsalzheimer's disease, aspartic protease, beta-secretase, memapsin 2, fragment screen, alternative splicing, aspartyl protease, glycoprotein, hydrolase, membrane, transmembrane, zymogen
Biological sourceHomo sapiens (human)
Cellular locationMembrane; Single-pass type I membrane protein P56817
Total number of polymer chains1
Total molecular weight45705.21
Kuglstatter, A.,Hennig, M. (deposition date: 2008-01-02, release date: 2008-03-11, Last modification date: 2011-07-13)
Primary citation
Kuglstatter, A.,Stahl, M.,Peters, J.U.,Huber, W.,Stihle, M.,Schlatter, D.,Benz, J.,Ruf, A.,Roth, D.,Enderle, T.,Hennig, M.
Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18:1304-1307, 2008
PubMed: 18226904 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2008.01.032
MImport into Mendeley
Experimental method

Structure validation

ClashscoreRamachandran outliersSidechain outliers4 0.3% 3.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-14