Ensemble refinement model

PDB 4M14|dpdb_cmpb3m8n

Ensemble refinement model

Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide]

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
229,930
Residues
263
Protein chains
1
Alternate-location fraction
0%
Ligand
QWS

Evaluations

R-work
0.146
R-free
0.175
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Tyrosine-protein kinase ITK/TSK269
  • ConstructUNP residues 354-620

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations