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Ensemble refinement model

PDB 4RG0|dpdb_4duh4g1k

Ensemble refinement model

Crystal structure of BTK kinase domain complexed with 2-[8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methyl-propanenitrile

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
44,866
Residues
263
Protein chains
1
Alternate-location fraction
0%
Ligand
3P0

Evaluations

R-work
0.189
R-free
0.257
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Tyrosine-protein kinase BTK283
  • Constructprotein kinase domain (UNP residues 378-659)
  • MutationsM489A R492A E624A K625A

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations