9ILN
ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrimidine 2,4-diketone derivative inhibitor
This is a non-PDB format compatible entry.
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, processed C-terminus | polymer | 354 | 39555.3 | 2 | UniProt (P09874) Pfam (PF02877) Pfam (PF00644) | Homo sapiens (human) | Poly [ADP-ribose] polymerase 1,89-kDa form |
| 2 | C, D (A, B) | 5-ethyl-1-[[3-[(3~{R})-4-ethyl-3-(2-hydroxyethyl)piperazin-1-yl]carbonyl-4-fluoranyl-phenyl]methyl]pyrimidine-2,4-dione | non-polymer | 432.5 | 2 | Chemie (A1D9M) | |||
| 3 | E, F, G (B) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 4 | H, I (A, B) | water | water | 18.0 | 191 | Chemie (HOH) |
Sequence modifications
A, B: 662 - 1011 (UniProt: P09874)
| PDB | External Database | Details |
|---|---|---|
| Gly 658 | - | expression tag |
| Pro 659 | - | expression tag |
| Met 660 | - | expression tag |
| Thr 661 | - | expression tag |
| Ala 762 | Val 762 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 79110.5 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1153.2 | |
| All* | Total formula weight | 80263.7 |
