4ZZZ
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, B (A, B) | POLY [ADP-RIBOSE] POLYMERASE 1 | polymer | 362 | 40420.2 | 2 | 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 | C, D, H, J (A, B) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 3 | E, F, I (A, B) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 4 | G, K (A, B) | 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide | non-polymer | 248.3 | 2 | Chemie (FSU) | |||
| 5 | L, M (A, B) | water | water | 18.0 | 146 | Chemie (HOH) |
Sequence modifications
A, B: 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 | 2 |
| Total formula weight | 80840.5 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1157.1 | |
| All* | Total formula weight | 81997.6 |
