3UQP

Crystal structure of Bace1 with its inhibitor

Summary for 3UQP

• Entry DOI: 10.2210/pdb3uqp/pdb
• Related: 3UQR 3UQU 3UQW 3UQX 4DV9 4DVF
• Related PRD ID: PRD_000892
• Descriptor: Beta-secretase 1, METHYL (2R)-1-[(6S,9S,12S,13S,17S,20S,23R)-9-(3-AMINO-3-OXOPROPYL)-12,23-DIBENZYL-13-HYDROXY-2,2,8,20,22-PENTAMETHYL-17-(2-METHYLPROPYL)-4,7,10,15,18,21,24-HEPTAOXO-6-(PROPAN-2-YL)-3-OXA-5,8,11,16,19,22-HEXAAZATETRACOSAN-24-YL]PYRROLIDINE-2-CARBOXYLATE, SULFATE ION, ... (4 entities in total)
• Functional Keywords: hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human); More
• Cellular location: Membrane; Single-pass type I membrane protein: P56817
• Total number of polymer chains: 2
• Total formula weight: 49422.27

Authors

Chen, T.T.,Chen, W.Y.,Li, L.,Xu, Y.C. (deposition date: 2011-11-21, release date: 2012-11-21, Last modification date: 2023-12-06)

• Primary citation: Liu, Y.,Zhang, W.,Li, L.,Salvador, L.A.,Chen, T.T.,Chen, W.Y.,Felsenstein, K.M.,Ladd, T.B.,Price, A.R.,Golde, T.E.,He, J.,Xu, Y.C.,Li, Y.,Luesch, H.; Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases; J.Med.Chem., 55:10749-10765, 2012; PubMed: 23181502; DOI: 10.1021/jm301630s

Experimental method

X-RAY DIFFRACTION (1.77 Å)