9NWX
Discovery of a Small Molecule ITK and Pan-TRK Kinase Inhibitor (PF-07245303) for the Potential Topical Treatment of Atopic Dermatitis
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Tyrosine-protein kinase ITK/TSK | polymer | 269 | 30649.0 | 1 | UniProt (Q08881) Pfam (PF07714) | Homo sapiens (human) | Interleukin-2-inducible T-cell kinase,IL-2-inducible T-cell kinase,Kinase EMT,T-cell-specific kinase,Tyrosine-protein kinase Lyk |
| 2 | B (A) | (2S)-N-methyl-N-{6-methyl-2-[(4aS,5aR)-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazol-3-yl]-1H-1,3-benzimidazol-5-yl}-2-(morpholin-4-yl)propanamide | non-polymer | 448.6 | 1 | Chemie (A1B66) | |||
| 3 | C (A) | water | water | 18.0 | 306 | Chemie (HOH) |
Sequence modifications
A: 354 - 620 (UniProt: Q08881)
| PDB | External Database | Details |
|---|---|---|
| Gly 352 | - | expression tag |
| Ser 353 | - | expression tag |
| Arg 596 | Lys 596 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 30649.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 448.6 | |
| All* | Total formula weight | 31097.6 |
