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4DI2:
Crystal structure of BACE1 in complex with hydroxyethylamine inhibitor 37
PDB ID:
4DI2
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MMDB ID:
103771
PDB Deposition Date:
2012/1/30
Updated in MMDB:
2012/10
Experimental Method:
x-ray diffraction
Resolution:
2 Å
Source Organism:
Homo sapiens
Similar Structures:
VAST+
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Biological Unit for 4DI2: monomeric; determined by author and by software (PISA)
Molecular Components in 4DI2
Label
Count
Molecule
Protein (1 molecule)
A
1
Beta-secretase 1
(Gene symbol:
BACE1
)
Chemicals and Non-standard biopolymers (3 molecules)
1
1
(2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide
2
2
GLYCEROL
* 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