5L58
Crystal structure of Iso-citrate Dehydrogenase 1 [IDH1 (R132H)] in complex with a novel inhibitor (Compound 2)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Isocitrate dehydrogenase [NADP] cytoplasmic | polymer | 414 | 46411.9 | 1 | UniProt (O75874) Pfam (PF00180) | Homo sapiens (Human) | IDH,Cytosolic NADP-isocitrate dehydrogenase,IDP,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase |
| 2 | B (A) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 1 | Chemie (NDP) | |||
| 3 | C (A) | 2-[(3~{R})-1-[6-cyclohexylsulfanyl-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid | non-polymer | 513.7 | 1 | Chemie (6MX) |
Sequence modifications
A: 1 - 414 (UniProt: O75874)
| PDB | External Database | Details |
|---|---|---|
| Ala 80 | Glu 80 | engineered mutation |
| Ala 81 | Lys 81 | engineered mutation |
| His 132 | Arg 132 | engineered mutation |
| Ala 240 | Glu 240 | engineered mutation |
| Ala 242 | Gln 242 | engineered mutation |
| Ala 243 | Lys 243 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 46411.9 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1259.1 | |
| All* | Total formula weight | 47671.0 |
