Ensemble refinement model

PDB 2BRG|dpdb_fqgd80pn

Ensemble refinement model

Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
50,109
Residues
257
Protein chains
1
Alternate-location fraction
0%
Ligand
DFY

Evaluations

R-work
0.210
R-free
0.252
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
SERINE/THREONINE-PROTEIN KINASE CHK1297
  • ConstructN-TERMINAL KINASE DOMAIN, RESIDUES 1-289

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations