Ensemble refinement model

PDB 4RFZ|dpdb_ckhqst6y

Ensemble refinement model

Crystal structure of BTK kinase domain complexed with 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]isoquinolin-1-one

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
158,583
Residues
263
Protein chains
1
Alternate-location fraction
0%
Ligands
3OV, DMS

Evaluations

R-work
0.158
R-free
0.172
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