4GID

Structure of beta-secretase complexed with inhibitor

Summary for 4GID

Entry DOI	10.2210/pdb4gid/pdb
Related	1fkn 2g94 2vkm
Descriptor	Beta-secretase 1, N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide, L-PROLINAMIDE, ... (4 entities in total)
Functional Keywords	aspartic protease, beta secretase, app, bace, a-beta, protease, memapsin, alzheimer, drug design, 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	4
Total formula weight	176142.97
Authors	Ghosh, A.,Tang, J.,Venkateswara, R.K.,Yadav, N.,Anderson, D.,Gavande, N.,Huang, X.,Terzyan, S. (deposition date: 2012-08-08, release date: 2012-10-10, Last modification date: 2023-09-13)
Primary citation	Ghosh, A.K.,Venkateswara Rao, K.,Yadav, N.D.,Anderson, D.D.,Gavande, N.,Huang, X.,Terzyan, S.,Tang, J. Structure-based design of highly selective beta-secretase inhibitors: synthesis, biological evaluation, and protein-ligand X-ray crystal structure. J.Med.Chem., 55:9195-9207, 2012 Cited by PubMed: 22954357 DOI: 10.1021/jm3008823 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation