6BKX
Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd1
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | C, B, A | Isocitrate dehydrogenase [NADP] cytoplasmic | polymer | 425 | 48154.7 | 3 | UniProt (O75874) Pfam (PF00180) In PDB | Homo sapiens (Human) | IDH,Cytosolic NADP-isocitrate dehydrogenase,IDP,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase |
2 | C, B | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
3 | C, B | ISOCITRIC ACID | non-polymer | 192.1 | 3 | Chemie (ICT) | |||
4 | C, B, A | (6aS,7S,9R,10aS)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile | non-polymer | 346.4 | 3 | Chemie (DWP) | |||
5 | water | water | 18.0 | 1471 | Chemie (HOH) |
Sequence modifications
C, B, A: 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 | 3 |
Total formula weight | 144464.2 | |
Non-Polymers* | Number of molecules | 9 |
Total formula weight | 1735.9 | |
All* | Total formula weight | 146200.1 |