Ensemble refinement model

PDB 6RSD|dpdb_1esl86ig

Ensemble refinement model

Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
334,375
Residues
568
Protein chains
2
Alternate-location fraction
0%
Ligands
KH8, PTR

Evaluations

R-work
0.176
R-free
0.211
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Tyrosine-protein kinase JAK1302—

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations