6XVW
Catalytic domain of human PARP-1 in complex with the inhibitor MC2050
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 | 39723.5 | 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, D, E, F, N... (A, B) | NICKEL (II) ION | non-polymer | 58.7 | 6 | Chemie (NI) | |||
| 3 | G, H, I, J, K... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 8 | Chemie (EDO) | |||
| 4 | M, R (A, B) | 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one | non-polymer | 367.5 | 2 | Chemie (O3H) | |||
| 5 | S, T (A, B) | water | water | 18.0 | 352 | Chemie (HOH) |
Sequence modifications
A, B: 663 - 1014 (UniProt: P09874)
| PDB | External Database | Details |
|---|---|---|
| His 661 | - | expression tag |
| Met 662 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 79446.9 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 1583.6 | |
| All* | Total formula weight | 81030.6 |
