7ONT
PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor (compound 22)
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 | 352 | 39312.9 | 2 | UniProt (P09874) Pfam (PF02877) Pfam (PF00644) | Homo sapiens (Human) | PARP-1,ADP-ribosyltransferase diphtheria toxin-like 1,ARTD1,DNA ADP-ribosyltransferase PARP1,NAD(+) ADP-ribosyltransferase 1,ADPRT 1,Poly[ADP-ribose] synthase 1,Protein poly-ADP-ribosyltransferase PARP1 |
| 2 | C, E (A, B) | 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide | non-polymer | 405.5 | 2 | Chemie (VKQ) | |||
| 3 | D, F (A, B) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 468 | Chemie (HOH) |
Sequence modifications
A, B: 662 - 1011 (UniProt: P09874)
| PDB | External Database | Details |
|---|---|---|
| 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 | 78625.9 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1003.1 | |
| All* | Total formula weight | 79629.0 |
