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Ensemble refinement model

PDB 3E63|dpdb_i22kvwbm

Ensemble refinement model

Fragment based discovery of JAK-2 inhibitors

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
174,413
Residues
290
Protein chains
1
Alternate-location fraction
0%
Ligands
5B2, PTR

Evaluations

R-work
0.184
R-free
0.239
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Tyrosine-protein kinase JAK2293
  • ConstructCATALYTIC DOMAIN (UNP residues 839 to 1131)

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations