5DE1
Crystal structure of human IDH1 in complex with GSK321A
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 | 413 | 46570.0 | 2 | UniProt (O75874) Pfam (PF00180) | Homo sapiens (Human) | IDH,Cytosolic NADP-isocitrate dehydrogenase,IDP,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase |
| 2 | C, E (A, B) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) | |||
| 3 | D, F (A, B) | (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide | non-polymer | 501.6 | 2 | Chemie (59D) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 159 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 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 | 93140.0 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 2489.9 | |
| All* | Total formula weight | 95629.9 |
