7CMW
Complex structure of PARP1 catalytic domain with pamiparib
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 | 354 | 39582.3 | 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) | (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one | non-polymer | 298.3 | 2 | Chemie (DS9) | |||
| 3 | D, F, G (A, B) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 4 | H, I (A, B) | water | water | 18.0 | 82 | Chemie (HOH) |
Sequence modifications
A, B: 662 - 1011 (UniProt: P09874)
| PDB | External Database | Details |
|---|---|---|
| Gly 658 | - | expression tag |
| Ser 659 | - | expression tag |
| His 660 | - | expression tag |
| Met 661 | - | expression tag |
| Ala 762 | Val 762 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 79164.6 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 872.9 | |
| All* | Total formula weight | 80037.5 |
