4QD6
ITK kinase domain in complex with inhibitor compound
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Tyrosine-protein kinase ITK/TSK | polymer | 266 | 30214.5 | 2 | UniProt (Q08881) Pfam (PF07714) In PDB | 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 | A, B | trans-4-({6-[(5-phenyl-1H-pyrazol-3-yl)amino]-4-(phenylsulfonyl)pyridin-2-yl}amino)cyclohexanol | non-polymer | 489.6 | 2 | Chemie (30T) | |||
3 | water | water | 18.0 | 19 | Chemie (HOH) |
Sequence modifications
A, B: 357 - 620 (UniProt: Q08881)
PDB | External Database | Details |
---|---|---|
Gly 355 | - | expression tag |
Ser 356 | - | expression tag |
Glu 512 | Tyr 512 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 60429.0 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 979.2 | |
All* | Total formula weight | 61408.2 |