5XSR
novel orally efficacious inhibitors complexed with PARP1
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Poly [ADP-ribose] polymerase 1 | polymer | 355 | 39580.3 | 1 | 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 | B (A) | 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide | non-polymer | 316.4 | 1 | Chemie (8EC) | |||
| 3 | C, D (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | E (A) | water | water | 18.0 | 155 | Chemie (HOH) |
Sequence modifications
A: 1 - 350 (UniProt: P09874)
| PDB | External Database | Details |
|---|---|---|
| Gly -4 | - | expression tag |
| Pro -3 | - | expression tag |
| Leu -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
| Ala 101 | Val 762 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 39580.3 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 508.5 | |
| All* | Total formula weight | 40088.7 |
