Rerefined model

PDB 5AAV|dpdb_0zs767my

Rerefined 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 2.0_5824
Model type
Multiconformer
Purpose
Refinement
Atoms
3,881
Residues
441
Protein chains
2
Alternate-location fraction
1.13%
Ligand
GW5

Evaluations

R-work
0.223
R-free
0.272
Clashscore
5.9

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
ESTROGEN RECEPTOR252
  • ConstructLIGAND-BINDING DOMAIN
  • MutationsYES
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
ESTROGEN RECEPTOR252
  • ConstructLIGAND-BINDING DOMAIN
  • MutationsYES

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations