4JA8
Complex of Mitochondrial Isocitrate Dehydrogenase R140Q Mutant with AGI-6780 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 | 416 | 47133.7 | 2 | UniProt (P48735) Pfam (PF00180) | Homo sapiens (human) | IDH, ICD-M, IDP, NADP(+)-specific ICDH, Oxalosuccinate decarboxylase |
| 2 | C, J (A, B) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 2 | Chemie (NDP) | |||
| 3 | D (A) | 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea | non-polymer | 481.5 | 1 | Chemie (1K9) | |||
| 4 | E, K (A, B) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 5 | F, G, H, I (A) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 6 | L, M (A, B) | water | water | 18.0 | 746 | Chemie (HOH) |
Sequence modifications
A, B: 41 - 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 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 94267.5 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 2420.9 | |
| All* | Total formula weight | 96688.4 |
