Ensemble refinement model

PDB 5TQ7|dpdb_6cwvh01w

Ensemble refinement model

Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
191,005
Residues
544
Protein chains
2
Alternate-location fraction
0%
Ligands
7GT, PTR

Evaluations

R-work
0.199
R-free
0.255
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Tyrosine-protein kinase JAK2304
  • ConstructUNP residues 837-1132
  • MutationsM1073S F1076T I1126V

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations