Ensemble refinement model

PDB 4NWM|dpdb_n2238aqz

Ensemble refinement model

Crystal structure of Bruton agammaglobulinemia tyrosine kinase complexed with BMS-809959 aka 4-tert-butyl-n-[2-me thyl-3-(6-{[4-(morpholine-4-carbonyl)phenyl]amino}-9h- purin-2-yl)phenyl]benzamide

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
310,511
Residues
522
Protein chains
2
Alternate-location fraction
0%
Ligands
2P5, OCS

Evaluations

R-work
0.142
R-free
0.192
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Tyrosine-protein kinase BTK263
  • ConstructUNP residues 396-657

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations