3T9E
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP, 5-(PP)-IP5 (5-IP7) and MgF3 (transition state mimic)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Inositol Pyrophosphate Kinase | polymer | 330 | 37568.9 | 1 | UniProt (O43314) Pfam (PF18086) | Homo sapiens (human) | |
| 2 | B (A) | ADENOSINE-5'-DIPHOSPHATE | non-polymer | 427.2 | 1 | Chemie (ADP) | |||
| 3 | C (A) | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate | non-polymer | 740.0 | 1 | Chemie (I7P) | |||
| 4 | D, E, F, G, H (A) | MAGNESIUM ION | non-polymer | 24.3 | 5 | Chemie (MG) | |||
| 5 | I (A) | TRIFLUOROMAGNESATE | non-polymer | 81.3 | 1 | Chemie (MGF) | |||
| 6 | J (A) | water | water | 18.0 | 494 | Chemie (HOH) |
Sequence modifications
A: 41 - 366 (UniProt: O43314)
| PDB | External Database | Details |
|---|---|---|
| Gly 37 | - | expression tag |
| Ser 38 | - | expression tag |
| Phe 39 | - | expression tag |
| Thr 40 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 37568.9 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1370.0 | |
| All* | Total formula weight | 38938.9 |
