Ensemble refinement model

PDB 3SC1|dpdb_lqgnfkio

Ensemble refinement model

Novel Isoquinolone PDK1 Inhibitors Discovered through Fragment-Based Lead Discovery

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
69,335
Residues
278
Protein chains
1
Alternate-location fraction
0%
Ligands
3S1, GOL, SEP, SO4

Evaluations

R-work
0.166
R-free
0.206
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
3-phosphoinositide-dependent protein kinase 1311
  • ConstructProtein kinase domain, residues 50-359

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations