4CQG
The crystal structure of MPK38 in complex with OTSSP167, an orally- administrative MELK selective inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Maternal embryonic leucine zipper kinase | polymer | 331 | 38326.4 | 1 | UniProt (Q61846) Pfam (PF00069) Pfam (PF21594) | Mus musculus (Mouse) | Protein kinase PK38,mPK38,Tyrosine-protein kinase MELK |
| 2 | B (A) | 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone | non-polymer | 487.4 | 1 | Chemie (OT5) | |||
| 3 | C (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | D (A) | water | water | 18.0 | 34 | Chemie (HOH) |
Sequence modifications
A: 1 - 326 (UniProt: Q61846)
| PDB | External Database | Details |
|---|---|---|
| Glu 167 | Thr 167 | engineered mutation |
| Leu 327 | - | expression tag |
| Glu 328 | - | expression tag |
| His 329 | - | expression tag |
| His 330 | - | expression tag |
| His 331 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 38326.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 583.5 | |
| All* | Total formula weight | 38909.9 |
