6BKY
Novel Binding Modes of Inhibition of Wild-Type IDH1: Allosteric Inhibition with Cmpd2
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | D, C, F, A, E... | Isocitrate dehydrogenase [NADP] cytoplasmic | polymer | 425 | 48154.7 | 6 | UniProt (O75874) Pfam (PF00180) In PDB | Homo sapiens (Human) | IDH,Cytosolic NADP-isocitrate dehydrogenase,IDP,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase |
2 | D, F, A | (2S)-2-hydroxybutanedioic acid | non-polymer | 134.1 | 3 | Chemie (LMR) | |||
3 | D, F, A | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
4 | D, A, E | 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE | non-polymer | 449.7 | 3 | Chemie (K32) | |||
5 | water | water | 18.0 | 1401 | Chemie (HOH) |
Sequence modifications
D, C, F, A, E, B: 1 - 414 (UniProt: O75874)
PDB | External Database | Details |
---|---|---|
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 | 6 |
Total formula weight | 288928.4 | |
Non-Polymers* | Number of molecules | 10 |
Total formula weight | 1848.6 | |
All* | Total formula weight | 290777.0 |