36UJ
Crystal Structure of IDH1 (R132H) in complex with covalent inhibitor LY3410738
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 | A, B (A, B) | Isocitrate dehydrogenase [NADP] cytoplasmic | polymer | 424 | 47900.4 | 2 | UniProt (O75874) Pfam (PF00180) | Homo sapiens (human) | IDH,IDH1,Cytosolic NADP-isocitrate dehydrogenase,IDPc,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase |
| 2 | C (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) PubChem (312) | |||
| 3 | D, F (A, B) | 7-{[(1S)-1-{4-[(1S)-2-cyclopropyl-1-(4-propanoylpiperazin-1-yl)ethyl]phenyl}ethyl]amino}-1-ethyl-1,4-dihydro-2H-pyrimido[4,5-d][1,3]oxazin-2-one | non-polymer | 506.6 | 2 | Chemie (A1DLL) | |||
| 4 | E (B) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 5 | G, H (A, B) | water | water | 18.0 | 243 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 414 (UniProt: O75874)
| PDB | External Database | Details |
|---|---|---|
| Met -1 | - | initiating methionine |
| Ala 0 | - | expression tag |
| Leu 1 | - | expression tag |
| His 132 | Arg 132 | engineered mutation |
| Glu 415 | - | expression tag |
| Gly 416 | - | expression tag |
| His 417 | - | expression tag |
| His 418 | - | expression tag |
| His 419 | - | expression tag |
| His 420 | - | expression tag |
| His 421 | - | expression tag |
| His 422 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 95800.9 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1144.8 | |
| All* | Total formula weight | 96945.7 |
