Ensemble refinement model

PDB 4I12|dpdb_w72jptdv

Ensemble refinement model

Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors

Program
PHENIX 2.0_5824
Model type
Ensemble
Purpose
Refinement
Atoms
156,637
Residues
374
Protein chains
1
Alternate-location fraction
0%
Ligands
1BC, NA, ZN

Evaluations

R-work
0.208
R-free
0.250
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Beta-secretase 1406
  • Constructunp residues 57-453

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations