Ensemble refinement model

PDB 3FDN|dpdb_4et3dres

Ensemble refinement model

Structure-based drug design of novel Aurora kinase A inhibitors: Structure basis for potency and specificity

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
89,926
Residues
261
Protein chains
1
Alternate-location fraction
0%
Ligand
MMH

Evaluations

R-work
0.199
R-free
0.237
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Serine/threonine-protein kinase 6279
  • Constructcatalytic domain
  • MutationT288D

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations