6IO0
Human IDH1 R132C mutant complexed with compound A.
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] cytoplasmic | polymer | 414 | 46666.2 | 2 | UniProt (O75874) Pfam (PF00180) | Homo sapiens (Human) | Cytosolic NADP-isocitrate dehydrogenase,IDP,NADP(+)-specific ICDH |
| 2 | C, N (A, B) | (2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid | non-polymer | 483.3 | 2 | Chemie (AOU) | |||
| 3 | D, O (A, B) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 2 | Chemie (NDP) | |||
| 4 | E, F, P (A, B) | CITRIC ACID | non-polymer | 192.1 | 3 | Chemie (CIT) | |||
| 5 | G, H, I, J, K... (A, B) | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
| 6 | Q, R (A, B) | water | water | 18.0 | 249 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 414 (UniProt: O75874)
| PDB | External Database | Details |
|---|---|---|
| Cys 132 | Arg 132 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 93332.3 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 3678.6 | |
| All* | Total formula weight | 97010.9 |
