Ensemble refinement model

PDB 4F09|dpdb_ye3k2lg2

Ensemble refinement model

Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
37,457
Residues
288
Protein chains
1
Alternate-location fraction
0%
Ligands
JAK, PTR

Evaluations

R-work
0.165
R-free
0.224
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Tyrosine-protein kinase JAK2302
  • ConstructUNP residues 833-1132

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations