Deposited model

PDB 2WF1|dpdb_ccnbhx5n

Deposited model

Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl(methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-3,4- dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9-carboxamide 2,2- dioxide

Program
CNS
Model type
Deposited
Purpose
Reference
Authors
Charrier, N., Clarke, B., Demont, E., Dingwall, C., Dunsdon, R., Hawkins, J., Hubbard, J., Hussain, I., Maile, G., Matico, R., Mosley, J., Naylor, A., O'Brien, A., Redshaw, S., Rowland, P., Soleil, V., Smith, K.J., Sweitzer, S., Theobald, P., Vesey, D., Walter, D.S., Wayne, G.
Atoms
3,418
Residues
375
Protein chains
1
Unmodeled fraction
4.34%

Evaluations

R-work
0.184
R-free
0.207
Clashscore
5.7

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
BETA-SECRETASE 1392
  • ConstructRESIDUES 61-452
  • MutationsYES

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations