5KPQ
Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione 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 | Poly [ADP-ribose] polymerase 1 | polymer | 350 | 39168.8 | 2 | UniProt (P09874) Pfam (PF02877) Pfam (PF00644) In PDB | Homo sapiens (Human) | PARP-1,ADP-ribosyltransferase diphtheria toxin-like 1,ARTD1,NAD(+) ADP-ribosyltransferase 1,ADPRT 1,Poly[ADP-ribose] synthase 1 |
| 2 | A, B | 1-[[4-fluoranyl-3-[(3R)-3-methyl-4-propyl-piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione | non-polymer | 438.5 | 2 | Chemie (6X2) | |||
| 3 | water | water | 18.0 | 59 | Chemie (HOH) |
Sequence modifications
A, B: 662 - 1011 (UniProt: P09874)
| PDB | External Database | Details |
|---|---|---|
| Ala 762 | Val 762 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 78337.6 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 877.0 | |
| All* | Total formula weight | 79214.6 |
