Deposited model

PDB 2XFJ|dpdb_i64nkx66

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-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide

Program
REFMAC 5.5
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
3,408
Residues
374
Protein chains
1
Unmodeled fraction
4.59%

Evaluations

R-work
0.166
R-free
0.191
Clashscore
3.0

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