7AB1
Crystal structure of MerTK kinase domain in complex with Gilteritinib
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 Mer | polymer | 298 | 34381.8 | 1 | UniProt (Q12866) Pfam (PF07714) | Homo sapiens (Human) | Proto-oncogene c-Mer,Receptor tyrosine kinase MerTK |
| 2 | B (A) | 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide | non-polymer | 552.7 | 1 | Chemie (C6F) | |||
| 3 | C, D, E, F (A) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 4 | G (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 5 | H (A) | water | water | 18.0 | 54 | Chemie (HOH) |
Sequence modifications
A: 571 - 864 (UniProt: Q12866)
| PDB | External Database | Details |
|---|---|---|
| Gly 567 | - | expression tag |
| Ser 568 | - | expression tag |
| His 569 | - | expression tag |
| Met 570 | - | expression tag |
| Arg 591 | Lys 591 | engineered mutation |
| Arg 693 | Lys 693 | engineered mutation |
| Arg 702 | Lys 702 | engineered mutation |
| Arg 856 | Lys 856 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34381.8 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 772.7 | |
| All* | Total formula weight | 35154.4 |
