4DH6: Structure Of Bace-1 (beta-secretase) In Complex With (2r)-n-((2s,3r)- 1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((s)-6'-neopentyl-3',4'- Dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino) Butan-2-yl)-2-methoxypropanamide

PDB ID: 4DH6Download
MMDB ID: 98874
PDB Deposition Date: 2012/1/27
Updated in MMDB: 2013/07
Experimental Method:
x-ray diffraction
Resolution: 2.5  Å
Source Organism:
Similar Structures:
Biological Unit for 4DH6: monomeric; determined by author and by software (PISA)
Molecular Components in 4DH6
Label Count Molecule
Protein (1 molecule)
1
Beta-secretase 1
(Gene symbol: BACE1)
Molecule annotation
Chemicals and Non-standard biopolymers (11 molecules)
1
8
Iodide IonIodide Ion
2
2
GlycerolGlycerin; Propane-1,2,3-triol
3
1
(2r)-N-[(2s,3r)-1-(1,3-Benzodioxol-5-Yl)-4-{[(4's)-6'-(2,2-Dimethylpropyl)-3',4'-Dihydrospiro[cyclobutane-1,2'-Pyrano[2,3-B]pyridin]-4'-Yl]amino}-3-Hydroxybutan-2-Yl]-2-Methoxypropanamide(2r)-n-((2s,3r)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((s)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide
* 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