6GHK
Human PARP1 (ARTD1) - Catalytic domain in complex with inhibitor ME0527
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 | 358 | 40199.9 | 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, H (A, B) | ~{N}-[(1~{R})-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-oxidanylidene-1~{H}-quinazolin-2-yl)propanamide | non-polymer | 387.4 | 2 | Chemie (EZ2) | |||
| 3 | D, E, F, G, I... (A, B) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 4 | K, L (A, B) | water | water | 18.0 | 208 | Chemie (HOH) |
Sequence modifications
A, B: 662 - 1012 (UniProt: P09874)
| PDB | External Database | Details |
|---|---|---|
| Met 661 | - | initiating methionine |
| Ala 762 | Val 762 | conflict |
| Ala 1012 | Ser 1012 | expression tag |
| His 1013 | - | expression tag |
| His 1014 | - | expression tag |
| His 1015 | - | expression tag |
| His 1016 | - | expression tag |
| His 1017 | - | expression tag |
| His 1018 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 80399.9 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1351.2 | |
| All* | Total formula weight | 81751.1 |
