9ETR
Crystal structure of PARP1 catalytic domain bound to AZD9574
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 | 355 | 39580.3 | 2 | UniProt (P09874) Pfam (PF02877) Pfam (PF00644) | Homo sapiens (human) | Poly [ADP-ribose] polymerase 1,89-kDa form |
| 2 | C, E (A, B) | 6-fluoranyl-5-[4-[(5-fluoranyl-2-methyl-3-oxidanylidene-4~{H}-quinoxalin-6-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide | non-polymer | 428.4 | 2 | Chemie (A1H64) | |||
| 3 | D, F (A, B) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 108 | Chemie (HOH) |
Sequence modifications
A, B: 662 - 1011 (UniProt: P09874)
| PDB | External Database | Details |
|---|---|---|
| Gly 657 | - | expression tag |
| Pro 658 | - | expression tag |
| Leu 659 | - | expression tag |
| Gly 660 | - | expression tag |
| Ser 661 | - | expression tag |
| Ala 762 | Val 762 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 79160.5 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1049.0 | |
| All* | Total formula weight | 80209.5 |
