Ensemble refinement model

PDB 6TPE|dpdb_cnrjxpv2

Ensemble refinement model

Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
160,952
Residues
568
Protein chains
2
Alternate-location fraction
0%
Ligands
NTW, PTR

Evaluations

R-work
0.209
R-free
0.310
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Tyrosine-protein kinase JAK1291
  • ConstructKINASE DOMAIN

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations