2BU2
crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | PYRUVATE DEHYDROGENSAE KINASE ISOENZYME 2 | polymer | 394 | 44647.7 | 1 | UniProt (Q15119) Pfam (PF10436) Pfam (PF02518) | HOMO SAPIENS (HUMAN) | PYRUVATE DEHYDROGENASE KINASE ISOFORM 2 |
| 2 | B (A) | ADENOSINE-5'-TRIPHOSPHATE | non-polymer | 507.2 | 1 | Chemie (ATP) | |||
| 3 | C (A) | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE | non-polymer | 383.4 | 1 | Chemie (TF1) | |||
| 4 | D (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 5 | E (A) | water | water | 18.0 | 91 | Chemie (HOH) |
Sequence modifications
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 44647.7 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 914.9 | |
| All* | Total formula weight | 45562.6 |
