4BKY
Crystal structure of unphosphorylated Maternal Embryonic Leucine zipper Kinase (MELK) in complex with pyrrolopyrazole inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | polymer | 347 | 40220.5 | 1 | UniProt (Q14680) Pfam (PF00069) Pfam (PF21594) In PDB | HOMO SAPIENS (HUMAN) | HMELK, PROTEIN KINASE EG3, PEG3 KINASE, PROTEIN KINASE PK38, HPK38, TYROSINE-PROTEIN KINASE MELK |
| 2 | A | 3'-{[(4-bromo-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-N-[(1S)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1',4'-dihydro-5'H-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'-carboxamide | non-polymer | 552.5 | 1 | Chemie (82B) | |||
| 3 | A | UNKNOWN ATOM OR ION | non-polymer | 1 | Chemie (UNX) | ||||
| 4 | water | water | 18.0 | 159 | Chemie (HOH) |
Sequence modifications
A: 2 - 340 (UniProt: Q14680)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Pro 1 | - | expression tag |
| His 341 | - | expression tag |
| His 342 | - | expression tag |
| His 343 | - | expression tag |
| His 344 | - | expression tag |
| His 345 | - | expression tag |
| His 346 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 40220.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 552.5 | |
| All* | Total formula weight | 40773.0 |
