Ensemble refinement model

PDB 8FKO|dpdb_tbylcy51

Ensemble refinement model

Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(2S,5R)-5-Amino-2-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
539,123
Residues
1,632
Protein chains
6
Alternate-location fraction
0%
Ligand
Y3O

Evaluations

R-work
0.194
R-free
0.244
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Mitogen-activated protein kinase kinase kinase kinase 1331
  • MutationsS165E T171E

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations