Ensemble refinement model

PDB 2BRB|dpdb_si4hmhti

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
116,859
Residues
272
Protein chains
1
Alternate-location fraction
0%
Ligands
PFQ, SO4

Evaluations

R-work
0.171
R-free
0.215
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