Ensemble refinement model

PDB 3VS0|dpdb_oj40h5zc

Ensemble refinement model

Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
177,691
Residues
861
Protein chains
2
Alternate-location fraction
0%
Ligands
CA, CL, PTR, VS0

Evaluations

R-work
0.195
R-free
0.262
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