6LLX
Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma
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) | Glutathione S-transferase P | polymer | 215 | 23892.3 | 2 | UniProt (P09211) Pfam (PF02798) Pfam (PF14497) | Homo sapiens (Human) | GST class-pi,GSTP1-1 |
| 2 | C, E (A, B) | GLUTATHIONE | non-polymer | 307.3 | 2 | Chemie (GSH) | |||
| 3 | D, F (A, B) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 2 | Chemie (MES) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 426 | Chemie (HOH) |
Sequence modifications
A, B: 0 - 209 (UniProt: P09211)
| PDB | External Database | Details |
|---|---|---|
| Ser -5 | - | expression tag |
| His -4 | - | expression tag |
| Met -3 | - | expression tag |
| Ala -2 | - | expression tag |
| Ser -1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 47784.7 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1005.1 | |
| All* | Total formula weight | 48789.8 |
