Ensemble refinement model

PDB 3SHE|dpdb_khyz3627

Ensemble refinement model

Novel ATP-competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
91,147
Residues
270
Protein chains
1
Alternate-location fraction
0%
Ligand
I85

Evaluations

R-work
0.193
R-free
0.239
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
MAP kinase-activated protein kinase 3317
  • ConstructKinase domain (UNP residues 33-349)

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations