Ensemble refinement model

PDB 5T18|dpdb_sff9af4t

Ensemble refinement model

Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
230,765
Residues
261
Protein chains
1
Alternate-location fraction
0%
Ligand
73T

Evaluations

R-work
0.175
R-free
0.202
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Tyrosine-protein kinase BTK267
  • Constructkinase domain

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations