Ensemble refinement model

PDB 5HE5|dpdb_0i6tab0l

Ensemble refinement model

BACE-1 in complex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
676,496
Residues
774
Protein chains
2
Alternate-location fraction
0%
Ligands
60S, TLA

Evaluations

R-work
0.154
R-free
0.184
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Beta-secretase 1414
  • ConstructUNP residues 41-454

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations