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Ensemble refinement model

PDB 5DIV|dpdb_nk9w6uuv

Ensemble refinement model

The Fk1 domain of FKBP51 in complex with the new synthetic ligand (S)-N-(1-carbamoylcyclopentyl)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamide

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
30,426
Residues
127
Protein chains
1
Alternate-location fraction
0%
Ligand
5BH

Evaluations

R-work
0.281
R-free
0.300
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Peptidyl-prolyl cis-trans isomerase FKBP5127
  • ConstructFk1 domain
  • Mutationsadditional N-terminal sequence GAP, cloning artefact, mutation A19T

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations