Deposited model

PDB 4RRS|dpdb_8ac99pg2

Deposited model

8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors

Program
REFMAC 5.8.0049
Model type
Deposited
Purpose
Reference
Authors
Thomas, A.A., Hunt, K.W., Newhouse, B., Watts, R.J., Liu, X., Vigers, G.P.A., Smith, D., Rhodes, S.P., Brown, K.D., Otten, J.N., Burkard, M., Cox, A.A., Geck Do, M.K., Dutcher, D., Rana, S., DeLisle, R.K., Regal, K., Wright, A.D., Groneberg, R., Liao, J., Scearce-Levie, K., Siu, M., Purkey, H.E., Lyssikatos, J.P.
Atoms
3,393
Residues
393
Protein chains
1
Unmodeled fraction
3.2%
Ligand
NI

Evaluations

R-work
0.197
R-free
0.237
Clashscore
3.1

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Beta-secretase 1406
  • Constructunp residues 57-453

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations