Ensemble refinement model

PDB 2YDI|dpdb_5jib084i

Ensemble refinement model

Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
164,314
Residues
280
Protein chains
1
Alternate-location fraction
0%
Ligands
SO4, YDI

Evaluations

R-work
0.157
R-free
0.187
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
SERINE/THREONINE-PROTEIN KINASE CHK1289
  • ConstructCHK1KD, RESIDUES 1-289

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations