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Ensemble refinement model

PDB 5DIU|dpdb_49tmszsp

Ensemble refinement model

The Fk1 domain of FKBP51 in complex with the new synthetic ligand 2-(3-((R)-1-((S)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamido)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
55,617
Residues
128
Protein chains
1
Alternate-location fraction
0%
Ligand
5BG

Evaluations

R-work
0.169
R-free
0.182
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Peptidyl-prolyl cis-trans isomerase FKBP5128
  • ConstructFk1 domain, UNP residues 16-140
  • Mutationsadditional N-terminal sequence GAP, cloning artefact, mutation A19T

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations