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Ensemble refinement model

PDB 5TM8|dpdb_fvbv6i5j

Ensemble refinement model

Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 7-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)heptanoic acid

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
206,191
Residues
484
Protein chains
4
Alternate-location fraction
0%
Ligand
7K6

Evaluations

R-work
0.183
R-free
0.233
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Estrogen receptor257
  • Constructligand-binding domain, UNP residues 125-381
  • MutationY537S
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Nuclear receptor coactivator 213
  • ConstructNuclear receptor-interacting peptide, UNP residues 686-698

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations