Ensemble refinement model

PDB 3VS5|dpdb_11k4ww63

Ensemble refinement model

Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
284,740
Residues
856
Protein chains
2
Alternate-location fraction
0%
Ligands
CA, PTR, VSG

Evaluations

R-work
0.189
R-free
0.259
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Tyrosine-protein kinase HCK454
  • ConstructUNP residues 81-526
  • MutationsQ528E Q529E Q530I

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations