Ensemble refinement model

PDB 5HDU|dpdb_ktwm4fxg

Ensemble refinement model

BACE-1 incomplex with (7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-6-(5-fluoro-4-methoxypyrimidin-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
673,621
Residues
774
Protein chains
2
Alternate-location fraction
0%
Ligands
60W, TLA

Evaluations

R-work
0.169
R-free
0.205
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