Ensemble refinement model
PDB 5AAU|dpdb_vd9tqx6d
Ensemble refinement model
Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist
- Program
- PHENIX phenix.ensemble_refinement
- Model type
- Ensemble
- Purpose
- Refinement
- Atoms
- 152,026
- Residues
- 451
- Protein chains
- 2
- Alternate-location fraction
- 0%
- Ligand
- XBR
Evaluations
R-work
0.182
R-free
0.229
Clashscore
—
Macromolecules
The same in every model of this entry.
Data
L0 Raw
L1 Processed
L2 Models
L3 Evaluations