Deposited model

PDB 4L7J|dpdb_dep2c6bg

Deposited model

Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1)

Program
PHENIX 1.6.4_486)
Model type
Deposited
Purpose
Reference
Authors
Huestis, M.P., Liu, W., Volgraf, M., Purkey, H.E., Wang, W., Yu, C., Wu, P., Smith, D., Vigers, G., Dutcher, D., Geck Do, M.K., Hunt, K.W., Siu, M.
Atoms
3,217
Residues
374
Protein chains
1
Unmodeled fraction
8.56%

Evaluations

R-work
0.178
R-free
0.209
Clashscore
8.4

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Beta-secretase 1409
  • ConstructUNP residues 57-453

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations