Ensemble refinement model

PDB 3VS6|dpdb_1s8seebp

Ensemble refinement model

Crystal structure of HCK complexed with a pyrazolo-pyrimidine inhibitor tert-butyl {4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
291,392
Residues
868
Protein chains
2
Alternate-location fraction
0%
Ligands
CA, CL, PTR, VSH

Evaluations

R-work
0.202
R-free
0.252
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