8VHB
Crystal Structure of Human IDH1 R132Q in complex with NADPH and Alpha-Ketoglutarate
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Isocitrate dehydrogenase [NADP] cytoplasmic | polymer | 430 | 48500.1 | 4 | UniProt (O75874) Pfam (PF00180) | Homo sapiens (human) | IDH,IDH1,Cytosolic NADP-isocitrate dehydrogenase,IDPc,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase |
| 2 | AA, E (C, A) | 2-OXOGLUTARIC ACID | non-polymer | 146.1 | 2 | Chemie (AKG) | |||
| 3 | BA, F (C, A) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 2 | Chemie (NDP) | |||
| 4 | EA, G, H, JA, KA... (C, A, D, B) | GLYCEROL | non-polymer | 92.1 | 8 | Chemie (GOL) | |||
| 5 | CA, DA, I, IA, J... (C, A, D, B) | THIOCYANATE ION | non-polymer | 58.1 | 15 | Chemie (SCN) | |||
| 6 | FA, M, OA, Z (C, A, D, B) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 7 | GA, N, O, PA (C, A, D) | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
| 8 | HA, P (D, B) | (3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid | non-polymer | 889.5 | 2 | Chemie (EE1) | |||
| 9 | MA (D) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 10 | QA, RA, SA, TA (A, B, C, D) | water | water | 18.0 | 1071 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 414 (UniProt: O75874)
| PDB | External Database | Details |
|---|---|---|
| His -15 | - | expression tag |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| His -10 | - | expression tag |
| Ser -9 | - | expression tag |
| Ser -8 | - | expression tag |
| Gly -7 | - | expression tag |
| Leu -6 | - | expression tag |
| Val -5 | - | expression tag |
| Pro -4 | - | expression tag |
| Arg -3 | - | expression tag |
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 0 | - | expression tag |
| Gln 132 | Arg 132 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 194000.5 | |
| Non-Polymers* | Number of molecules | 38 |
| Total formula weight | 5578.3 | |
| All* | Total formula weight | 199578.7 |
