Deposited model

PDB 2XFI|dpdb_9ucp133d

Deposited model

Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino)benzamide

Program
REFMAC 5.5.0109
Model type
Deposited
Purpose
Reference
Authors
Clarke, B., Cutler, L., Demont, E., Dingwall, C., Dunsdon, R., Hawkins, J., Howes, C., 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
3,460
Residues
373
Protein chains
1
Unmodeled fraction
4.85%

Evaluations

R-work
0.171
R-free
0.198
Clashscore
4.1

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