4M15
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide] and ADP
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Tyrosine-protein kinase ITK/TSK | polymer | 269 | 30649.0 | 1 | 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 | 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide | non-polymer | 353.4 | 1 | Chemie (QWS) | |||
| 3 | A | ADENOSINE-5'-DIPHOSPHATE | non-polymer | 427.2 | 1 | Chemie (ADP) | |||
| 4 | water | water | 18.0 | 202 | 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 | 2 |
| Total formula weight | 780.6 | |
| All* | Total formula weight | 31429.6 |
