5V0N

BACE1 in complex with inhibitor 5g

Summary for 5V0N

• Entry DOI: 10.2210/pdb5v0n/pdb
• Descriptor: Beta-secretase 1, SULFATE ION, N-{(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide, ... (6 entities in total)
• Functional Keywords: bace1-inhibitor complex, 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: 3
• Total formula weight: 149759.14

Authors

Mesecar, A.,Ghosh, A.,Yen, Y.-C. (deposition date: 2017-02-28, release date: 2017-05-03, Last modification date: 2023-10-04)

• Primary citation: Ghosh, A.K.,Brindisi, M.,Yen, Y.C.,Cardenas, E.L.,Ella-Menye, J.R.,Kumaragurubaran, N.,Huang, X.,Tang, J.,Mesecar, A.D.; Design, synthesis, and X-ray structural studies of BACE-1 inhibitors containing substituted 2-oxopiperazines as P1'-P2' ligands.; Bioorg. Med. Chem. Lett., 27:2432-2438, 2017; PubMed: 28427814; DOI: 10.1016/j.bmcl.2017.04.011

Experimental method

X-RAY DIFFRACTION (2.155 Å)