Deposited model

PDB 2WF0|dpdb_75kwf0rx

Deposited model

Human BACE-1 in complex with 4-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-8-(2-oxo-1-pyrrolidinyl)-6-quinolinecarboxamide

Program
CNS
Model type
Deposited
Purpose
Reference
Authors
Charrier, N., Clarke, B., Cutler, L., Demont, E., Dingwall, C., Dunsdon, R., Hawkins, J., Howes, C., 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
3,399
Residues
373
Protein chains
1
Unmodeled fraction
4.85%

Evaluations

R-work
0.188
R-free
0.203
Clashscore
6.2

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