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Ensemble refinement model

PDB 3PTG|dpdb_4c6ifn50

Ensemble refinement model

Design and Synthesis of a Novel, Orally Efficacious Tri-substituted Thiophene Based JNK Inhibitor

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
99,192
Residues
350
Protein chains
2
Alternate-location fraction
0%
Ligand
932

Evaluations

R-work
0.196
R-free
0.257
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Mitogen-activated protein kinase 10363
  • ConstructUNP residues 40-401
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
C-Jun-amino-terminal kinase-interacting protein 111
  • ConstructUNP residues 157-167

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations