Deposited model

PDB 2VNN|dpdb_0o12dda6

Deposited model

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

Program
REFMAC 5.3.0006
Model type
Deposited
Purpose
Reference
Authors
Charrier, N., Clarke, B., Cutler, L., Demont, E., Dingwall, C., Dunsdon, R., East, P., Hawkins, J., Howes, C., Hussain, I., Jeffrey, P., Maile, G., Matico, R., Mosley, J., Naylor, A., OBrien, A., Redshaw, S., Rowland, P., Soleil, V., Smith, K.J., Sweitzer, S., Theobald, P., Vesey, D., Walter, D.S., Wayne, G.
Atoms
3,417
Residues
375
Protein chains
1
Unmodeled fraction
4.34%

Evaluations

R-work
0.173
R-free
0.211
Clashscore
5.2

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