3IXJ: Crystal Structure Of Beta-Secretase 1 In Complex With Selective Beta-Secretase 1 Inhibitor

PDB ID: 3IXJDownload
MMDB ID: 80459
PDB Deposition Date: 2009/9/4
Updated in MMDB: 2011/05
Experimental Method:
x-ray diffraction
Resolution: 2.2  Å
Source Organism:
Similar Structures:
Biological Unit for 3IXJ: monomeric; determined by author
Molecular Components in 3IXJ
Label Count Molecule
Protein (1 molecule)
1
Beta-secretase 1
(Gene symbol: BACE1)
Molecule annotation
Chemicals and Non-standard biopolymers (2 molecules)
1
1
N-[4-(1-benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-n'-(1-phenylethyl)-isophthalamideN-{(1s,2s,4r)-5-{[(1s)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-1-[(3,5-difluorophenoxy)methyl]-2-hydroxy-4-methoxy-5-oxopentyl}-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
2
1
Sulfate IonSulfate Ion
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303