6BL2
Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd15
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 (A, B, C) | Isocitrate dehydrogenase [NADP] cytoplasmic | polymer | 425 | 48154.7 | 3 | UniProt (O75874) Pfam (PF00180) | Homo sapiens (Human) | IDH,Cytosolic NADP-isocitrate dehydrogenase,IDP,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase |
| 2 | D, F, I (A, B) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 3 | E, H, J (A, B) | ISOCITRIC ACID | non-polymer | 192.1 | 3 | Chemie (ICT) | |||
| 4 | G, K, L (A, B, C) | 3-[(6aS,7S,9S,10aS)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid | non-polymer | 452.5 | 3 | Chemie (DWS) | |||
| 5 | M, N, O (A, B, C) | water | water | 18.0 | 858 | Chemie (HOH) |
Sequence modifications
A, B, C: 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 | 2054.1 | |
| All* | Total formula weight | 146518.3 |
