Ensemble refinement model

PDB 5EM5|dpdb_ycden4s2

Ensemble refinement model

EGFR kinase domain mutant "TMLR" with pyridone compound 2: 4-[2-(4-chlorophenyl)ethylamino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
123,895
Residues
298
Protein chains
1
Alternate-location fraction
0%
Ligand
5Q2

Evaluations

R-work
0.179
R-free
0.222
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Epidermal growth factor receptor331
  • MutationsT790M L858R E865A E866A K867A

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations