3UQW
Crystal structure of BACE1 with its inhibitor
Summary for 3UQW
Entry DOI | 10.2210/pdb3uqw/pdb |
Related | 3UQP 3UQR 3UQU 3UQX 4DV9 4DVF |
Descriptor | Beta-secretase 1, ethyl 1-{(2S,3S)-3-[(3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoyl)amino]-2-hydroxy-4-phenylbutyl}-1H-pyrazole-4-carboxylate, SULFATE ION, ... (4 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 | 49094.81 |
Authors | Chen, T.T.,Chen, W.Y.,Xu, Y.C. (deposition date: 2011-11-21, release date: 2012-11-21, Last modification date: 2024-10-30) |
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 (2.2 Å) |
Structure validation
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