4D83: Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a co-crystallization experiment

PDB ID: 4D83Download
MMDB ID: 105195
PDB Deposition Date: 2012/1/10
Updated in MMDB: 2017/11
Experimental Method:
x-ray diffraction
Resolution: 2.4  Å
Source Organism:
Similar Structures:
Biological Unit for 4D83: monomeric; determined by author and by software (PISA)
Molecular Components in 4D83
Label Count Molecule
Protein (1 molecule)
1
Beta-secretase 1
(Gene symbol: BACE1)
Molecule annotation
Chemical and Non-standard biopolymers (1 molecule)
1
1
(3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide(3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide
* 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