3UQU

Crystal structure of BACE1 with its inhibitor

Summary for 3UQU

• Entry DOI: 10.2210/pdb3uqu/pdb
• Related: 3UQP 3UQR 3UQW 3UQX 4DV9 4DVF
• Descriptor: Beta-secretase 1, N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-1-phenyl-4-(1H-pyrazol-1-yl)butan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide, SULFATE ION, ... (6 entities in total)
• Functional Keywords: hydrolase, beta-secretase, bace1, memapsin 2, 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: 49274.37

Authors

Chen, T.T.,Chen, W.Y.,Xu, Y.C. (deposition date: 2011-11-21, release date: 2012-11-21, Last modification date: 2023-11-08)

• Primary citation: Xu, Y.C.,Chen, W.Y.,Chen, T.T.; Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations; to be published,

Experimental method

X-RAY DIFFRACTION (1.7 Å)