Deposited model

PDB 4MF0|dpdb_9pmram6z

Deposited model

ITK kinase domain in complex with benzothiazole inhibitor compound 12a (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(PYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE (12a)

Program
BUSTER 2.11.4
Model type
Deposited
Purpose
Reference
Authors
Eigenbrot, C., Shia, S.
Atoms
3,904
Residues
477
Protein chains
2
Unmodeled fraction
10.34%

Evaluations

R-work
0.212
R-free
0.268
Clashscore
2.5

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Tyrosine-protein kinase ITK/TSK266
  • Constructunp residues 357-620
  • MutationY512E

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations