5HA9
Crystal structure-based design and disovery of a novel PARP1 antiagonist (BL-PA10) that induces apoptosis and inhibits metastasis in triple negative breast cancer
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) | Poly [ADP-ribose] polymerase 1 | polymer | 351 | 39328.1 | 2 | UniProt (P09874) Pfam (PF02877) Pfam (PF00644) | Homo sapiens (Human) | PARP-1,ADP-ribosyltransferase diphtheria toxin-like 1,ARTD1,NAD(+) ADP-ribosyltransferase 1,ADPRT 1,Poly[ADP-ribose] synthase 1 |
| 2 | C, F (A, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 3 | D, E, G, H, I... (A, B) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 4 | K (B) | Amitriptyline | non-polymer | 277.4 | 1 | Chemie (TP0) |
Sequence modifications
A, B: 1 - 350 (UniProt: P09874)
| PDB | External Database | Details |
|---|---|---|
| Met 0 | - | initiating methionine |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 78656.1 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1038.0 | |
| All* | Total formula weight | 79694.1 |
