Deposited model

PDB 4I11|dpdb_brjfvazk

Deposited model

Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.

Program
REFMAC 5.5.0102
Model type
Deposited
Purpose
Reference
Authors
Bowers, B., Xu, Y., Yuan, S., Probst, G.D., Hom, R.K., Chan, W., Konradi, A.W., Sham, H.L., Zhu, Y.L., Beroza, P., Pan, H., Brecht, E., Yao, N., Lougheed, J., Artis, D.R., Tam, D., Bova, M.
Atoms
3,472
Residues
397
Protein chains
1
Unmodeled fraction
2.22%
Ligand
ZN

Evaluations

R-work
0.215
R-free
0.278
Clashscore
5.0

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Beta-secretase 1406
  • ConstructBeta-secretase 1: unp residues 57-453

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations