4XS3
Crystal structure of a metabolic reductase with (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Isocitrate dehydrogenase [NADP] cytoplasmic | polymer | 414 | 46701.2 | 2 | UniProt (O75874) Pfam (PF00180) In PDB | Homo sapiens (Human) | IDH,Cytosolic NADP-isocitrate dehydrogenase,IDP,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase |
| 2 | A, B | (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one | non-polymer | 325.4 | 2 | Chemie (42W) | |||
| 3 | A, B | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) |
Sequence modifications
A, B: 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 | 2 |
| Total formula weight | 93402.4 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 2137.6 | |
| All* | Total formula weight | 95539.9 |
