Ensemble refinement model

PDB 5TOB|dpdb_sqm4gfn8

Ensemble refinement model

Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
104,186
Residues
245
Protein chains
1
Alternate-location fraction
0%
Ligand
YAM

Evaluations

R-work
0.194
R-free
0.255
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Protein-tyrosine kinase 2-beta282
  • ConstructUNP Residues 414-692

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations