Ensemble refinement model

PDB 5HU1|dpdb_ct1l3kv0

Ensemble refinement model

BACE1 in complex with (R)-N-(3-(3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl)-5-fluoropicolinamide

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
675,381
Residues
774
Protein chains
2
Alternate-location fraction
0%
Ligand
66F

Evaluations

R-work
0.163
R-free
0.194
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Beta-secretase 1412
  • ConstructUNP residues 43-454

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations