6U4J
Crystal structure of IDH1 R132H mutant in complex with FT-2102
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 | 425 | 48135.7 | 2 | UniProt (O75874) Pfam (PF00180) In PDB | Homo sapiens (Human) | IDH,Cytosolic NADP-isocitrate dehydrogenase,IDP,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase |
2 | A, B | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) | |||
3 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
4 | A, B | 5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile | non-polymer | 354.8 | 2 | Chemie (PWV) | |||
5 | B | CITRATE ANION | non-polymer | 189.1 | 1 | Chemie (FLC) | |||
6 | water | water | 18.0 | 860 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 414 (UniProt: O75874)
PDB | External Database | Details |
---|---|---|
His 132 | Arg 132 | engineered mutation |
Ser 415 | - | expression tag |
Leu 416 | - | expression tag |
Glu 417 | - | expression tag |
His 418 | - | expression tag |
His 419 | - | expression tag |
His 420 | - | expression tag |
His 421 | - | expression tag |
His 422 | - | expression tag |
His 423 | - | expression tag |
His 424 | - | expression tag |
His 425 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 96271.4 | |
Non-Polymers* | Number of molecules | 7 |
Total formula weight | 2456.4 | |
All* | Total formula weight | 98727.8 |