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Ensemble refinement model

PDB 5KCE|dpdb_nkh7y2pa

Ensemble refinement model

Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl, 2-chlorobenzyl OBHS-N derivative

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
162,518
Residues
480
Protein chains
4
Alternate-location fraction
0%
Ligand
OB3

Evaluations

R-work
0.193
R-free
0.242
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