5A00
Structure of human PARP1 catalytic domain bound to an isoindolinone inhibitor
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 | 362 | 40420.2 | 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, POLYADP-RIBOSE SYNTHASE 1, POLY ADP-RIBOSE POLYMERASE 1 |
| 2 | B (A) | 2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide | non-polymer | 395.4 | 1 | Chemie (D7N) | |||
| 3 | C, D (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | E (A) | water | water | 18.0 | 22 | Chemie (HOH) |
Sequence modifications
A: 655 - 1014 (UniProt: P09874)
| PDB | External Database | Details |
|---|---|---|
| Gly 653 | - | expression tag |
| Pro 654 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 40420.2 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 587.5 | |
| All* | Total formula weight | 41007.8 |
