8HB9
Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | AAA, BBB, CCC, DDD | Isocitrate dehydrogenase [NADP] cytoplasmic | polymer | 414 | 46701.2 | 4 | UniProt (O75874) Pfam (PF00180) In PDB | Homo sapiens (human) | IDH,Cytosolic NADP-isocitrate dehydrogenase,IDP,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase |
| 2 | AAA, BBB, CCC, DDD | [2-[2-[[1-[4-[(1S)-1-[[5-fluoranyl-4-[(4S)-2-oxidanylidene-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]piperidin-4-yl]sulfamoyl]ethylsulfanylmethyl]-3-oxidanylidene-propyl]-trimethyl-azanium | non-polymer | 694.9 | 4 | Chemie (R1R) | |||
| 3 | AAA, BBB, CCC, DDD | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 4 | Chemie (NDP) | |||
| 4 | AAA, BBB, CCC, DDD | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
| 5 | AAA, DDD | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 5 | Chemie (PEG) | |||
| 6 | water | water | 18.0 | 252 | Chemie (HOH) |
Sequence modifications
AAA, BBB, CCC, DDD: 1 - 414 (UniProt: O75874)
| PDB | External Database | Details |
|---|---|---|
| His 132 | Arg 132 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 186804.7 | |
| Non-Polymers* | Number of molecules | 20 |
| Total formula weight | 6936.6 | |
| All* | Total formula weight | 193741.3 |
