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 Cited by PubMed: 28427814DOI: 10.1016/j.bmcl.2017.04.011 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.155 Å) |
Structure validation
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