4IVT

Crystal structure of BACE1 with its inhibitor

Summary for 4IVT

Entry DOI	10.2210/pdb4ivt/pdb
Related	4IVS
Descriptor	Beta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(1H-indol-1-yl)acetamide, SULFATE ION, ... (4 entities in total)
Functional Keywords	hydrolase, 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	1
Total formula weight	48847.35
Authors	Chen, T.T.,Li, L.,Chen, W.Y.,Xu, Y.C. (deposition date: 2013-01-23, release date: 2013-11-13, Last modification date: 2023-11-08)
Primary citation	Zou, Y.,Li, L.,Chen, W.Y.,Chen, T.T.,Ma, L.,Wang, X.,Xiong, B.,Xu, Y.C.,Shen, J. Virtual screening and structure-based discovery of indole acylguanidines as potent beta-secretase (BACE1) inhibitors Molecules, 18:5706-5722, 2013 Cited by PubMed: 23681056 DOI: 10.3390/molecules18055706 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.6 Å)

Structure validation