5XSU
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, B, C, D (A, B, C, D) | Poly [ADP-ribose] polymerase 1 | polymer | 355 | 39580.3 | 4 | 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 | E, F, G, H, I... (A, B, C, D) | SULFATE ION | non-polymer | 96.1 | 16 | Chemie (SO4) | |||
| 3 | K, R, U, X (A, B, C, D) | 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide | non-polymer | 300.3 | 4 | Chemie (8E3) | |||
| 4 | AA, BA, Y, Z (C, D, A, B) | water | water | 18.0 | 164 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 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 | 4 |
| Total formula weight | 158321.0 | |
| Non-Polymers* | Number of molecules | 20 |
| Total formula weight | 2738.2 | |
| All* | Total formula weight | 161059.2 |
