Ensemble refinement model

PDB 3RTP|dpdb_zu09h5gv

Ensemble refinement model

Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
55,566
Residues
331
Protein chains
1
Alternate-location fraction
0%
Ligand
34I

Evaluations

R-work
0.223
R-free
0.268
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Mitogen-activated protein kinase 10363
  • ConstructUNP residues 40-401

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations