4AFE
Nek2 bound to hybrid compound 21
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | SERINE/THREONINE-PROTEIN KINASE NEK2 | polymer | 279 | 32662.5 | 1 | UniProt (P51955) Pfam (PF00069) | HOMO SAPIENS (HUMAN) | HSPK 21, NEVER IN MITOSIS A-RELATED KINASE 2, NIMA-RELATED PROTEIN KINASE 2, NIMA-LIKE PROTEIN KINASE 1, NEK2 |
| 2 | B (A) | 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE | non-polymer | 490.5 | 1 | Chemie (GGY) | |||
| 3 | C (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 4 | D (A) | water | water | 18.0 | 32 | Chemie (HOH) |
Sequence modifications
A: 1 - 271 (UniProt: P51955)
| PDB | External Database | Details |
|---|---|---|
| Leu 272 | - | expression tag |
| Glu 273 | - | expression tag |
| His 274 | - | expression tag |
| His 275 | - | expression tag |
| His 276 | - | expression tag |
| His 277 | - | expression tag |
| His 278 | - | expression tag |
| His 279 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 32662.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 552.6 | |
| All* | Total formula weight | 33215.1 |
