4FCO

Crystal structure of bace1 with its inhibitor

Summary for 4FCO

• Entry DOI: 10.2210/pdb4fco/pdb
• Related: 4FGX
• Descriptor: Beta-secretase 1, SULFATE ION, N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide, ... (5 entities in total)
• Functional Keywords: hydrolase, 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: 49371.19

Authors

Chen, T.T.,Chen, W.Y.,Li, L.,Xu, Y.C. (deposition date: 2012-05-25, release date: 2013-05-29)

• Primary citation: Xu, Y.C.,Chen, W.Y.,Chen, T.T.,Li, L.; Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations; To be Published, 2012

Experimental method

X-RAY DIFFRACTION (1.76 Å)