Ensemble refinement model

PDB 5UGC|dpdb_v1q1y6gu

Ensemble refinement model

Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
244,123
Residues
280
Protein chains
1
Alternate-location fraction
0%
Ligands
8BS, EDO, GOL, SO4

Evaluations

R-work
0.162
R-free
0.189
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Epidermal growth factor receptor329
  • ConstructUNP residues 695-1022
  • MutationsL858R T790M V948R

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations