5I96
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Isocitrate dehydrogenase [NADP], mitochondrial | polymer | 458 | 51783.0 | 2 | UniProt (P48735) Pfam (PF00180) | Homo sapiens (Human) | IDH,ICD-M,IDP,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase |
| 2 | C, K (A) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 3 | D, E, F, G, L (A, B) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 4 | H, N (A, B) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 2 | Chemie (NDP) | |||
| 5 | I, O (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 6 | J, P (A, B) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 7 | M (B) | 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol | non-polymer | 473.4 | 1 | Chemie (69Q) | |||
| 8 | Q, R (A, B) | water | water | 18.0 | 979 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 452 (UniProt: P48735)
| PDB | External Database | Details |
|---|---|---|
| Gln 140 | Arg 140 | engineered mutation |
| His 453 | - | expression tag |
| His 454 | - | expression tag |
| His 455 | - | expression tag |
| His 456 | - | expression tag |
| His 457 | - | expression tag |
| His 458 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 103566.0 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 2668.9 | |
| All* | Total formula weight | 106234.9 |
