3MJ1
X-ray crystal structure of ITK complexed with inhibitor RO5191614
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 | 266 | 30116.4 | 1 | UniProt (Q08881) Pfam (PF07714) In PDB | Homo sapiens (human) | T-cell-specific kinase, Tyrosine-protein kinase Lyk, Kinase EMT |
2 | A | 7-[(4-methylpiperazin-1-yl)methyl]-4-[(3-methyl-1H-pyrazol-5-yl)amino]-2-(tetrahydro-2H-pyran-4-yl)phthalazin-1(2H)-one | non-polymer | 437.5 | 1 | Chemie (614) | |||
3 | water | water | 18.0 | 86 | Chemie (HOH) |
Sequence modifications
A: 357 - 620 (UniProt: Q08881)
PDB | External Database | Details |
---|---|---|
Gly 355 | - | expression tag |
Ser 356 | - | expression tag |
Ser 477 | Cys 477 | engineered mutation |
Ala 614 | Glu 614 | engineered mutation |
Ala 617 | Glu 617 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 30116.4 | |
Non-Polymers* | Number of molecules | 1 |
Total formula weight | 437.5 | |
All* | Total formula weight | 30554.0 |