7PJM
Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and Ca2+/2-Oxoglutarate
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | Isocitrate dehydrogenase [NADP] cytoplasmic | polymer | 422 | 47797.4 | 3 | UniProt (O75874) Pfam (PF00180) | Homo sapiens (Human) | IDH,Cytosolic NADP-isocitrate dehydrogenase,IDP,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase |
| 2 | D, K, P (A, B, C) | 2-OXOGLUTARIC ACID | non-polymer | 146.1 | 3 | Chemie (AKG) | |||
| 3 | E, F, N, Q (A, C) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 4 | G, L, R (A, B, C) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 3 | Chemie (NDP) | |||
| 5 | H, J, O (A, B, C) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 6 | I, M, S (A, B, C) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 7 | T, U, V (A, B, C) | water | water | 18.0 | 341 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 414 (UniProt: O75874)
| PDB | External Database | Details |
|---|---|---|
| Cys 132 | Arg 132 | engineered mutation |
| Phe 280 | Ser 280 | engineered mutation |
| Leu 415 | - | expression tag |
| Glu 416 | - | expression tag |
| His 417 | - | expression tag |
| His 418 | - | expression tag |
| His 419 | - | expression tag |
| His 420 | - | expression tag |
| His 421 | - | expression tag |
| His 422 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 143392.2 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 3269.5 | |
| All* | Total formula weight | 146661.7 |
