Ensemble refinement model

PDB 5SYS|dpdb_3a5m1suf

Ensemble refinement model

c-Src V281C bound to N-[3-({6-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide inhibitor

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
85,695
Residues
516
Protein chains
2
Alternate-location fraction
0%
Ligand
72F

Evaluations

R-work
0.265
R-free
0.312
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Proto-oncogene tyrosine-protein kinase Src286
  • MutationV281C

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations