3LHG

Bace1 in complex with the aminohydantoin Compound 4g

Summary for 3LHG

DescriptorBeta-secretase 1, (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one (3 entities in total)
Functional Keywordsinhibitor, aminohydantoin, hydrolase
Biological sourceHomo sapiens (human)
Cellular locationMembrane; Single-pass type I membrane protein P56817
Total number of polymer chains1
Total molecular weight46819.36
Authors
Olland, A.M. (deposition date: 2010-01-22, release date: 2010-04-21, Last modification date: 2011-07-13)
Primary citation
Zhou, P.,Li, Y.,Fan, Y.,Wang, Z.,Chopra, R.,Olland, A.,Hu, Y.,Magolda, R.L.,Pangalos, M.,Reinhart, P.H.,Turner, M.J.,Bard, J.,Malamas, M.S.,Robichaud, A.J.
Pyridinyl aminohydantoins as small molecule BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20:2326-2329, 2010
PubMed: 20202842 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2010.01.136
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.1 Å)
NMR Information
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.22740.6%2.0%7.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution