6VFZ
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with NADPH and AG-881 (Vorasidenib) 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 (A) | 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine | non-polymer | 414.7 | 1 | Chemie (9UO) | |||
| 3 | D, G (A, B) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 2 | Chemie (NDP) | |||
| 4 | E, H (A, B) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 5 | F, I (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 6 | J, K (A, B) | water | water | 18.0 | 616 | 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 | 7 |
| Total formula weight | 2031.7 | |
| All* | Total formula weight | 105597.7 |
