Ensemble refinement model

PDB 8FJZ|dpdb_h02k7m48

Ensemble refinement model

Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(3R,5S)-3-Amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
950,634
Residues
1,698
Protein chains
6
Alternate-location fraction
0%
Ligand
Y3I

Evaluations

R-work
0.183
R-free
0.229
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Mitogen-activated protein kinase kinase kinase kinase 1331
  • MutationsT165E S171E

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations