2P4J
Crystal structure of beta-secretase bond to an inhibitor with Isophthalamide Derivatives at P2-P3
Summary for 2P4J
Entry DOI | 10.2210/pdb2p4j/pdb |
Descriptor | Beta-secretase 1, N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-2-METHYLPROPYL}AMINO)-4-METHYL-5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE (3 entities in total) |
Functional Keywords | beta-secretase, memapsin, bace, asp, aspartic protease, acid protease, alzheimer's disease, drug design, structure based drug design, hydrolase |
Biological source | Homo sapiens (human) |
Cellular location | Membrane; Single-pass type I membrane protein: P56817 |
Total number of polymer chains | 4 |
Total formula weight | 176058.88 |
Authors | Hong, L.,Ghosh, A.K.,Tang, J. (deposition date: 2007-03-12, release date: 2007-07-24, Last modification date: 2023-08-30) |
Primary citation | Ghosh, A.K.,Kumaragurubaran, N.,Hong, L.,Kulkarni, S.S.,Xu, X.,Chang, W.,Weerasena, V.,Turner, R.,Koelsch, G.,Bilcer, G.,Tang, J. Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands. J.Med.Chem., 50:2399-2407, 2007 Cited by PubMed: 17432843DOI: 10.1021/jm061338s PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.5 Å) |
Structure validation
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