9IM8
Mutated ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a pyrimidine 2,4-diketone derivative inhibitor
This is a non-PDB format compatible entry.
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 2 | polymer | 353 | 39965.9 | 2 | UniProt (Q9UGN5) Pfam (PF02877) Pfam (PF00644) | Homo sapiens (human) | PARP-2,hPARP-2,ADP-ribosyltransferase diphtheria toxin-like 2,ARTD2,DNA ADP-ribosyltransferase PARP2,NAD(+) ADP-ribosyltransferase 2,ADPRT-2,Poly[ADP-ribose] synthase 2,pADPRT-2,Protein poly-ADP-ribosyltransferase PARP2 |
| 2 | C (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 3 | D, E (A, B) | 5-ethyl-1-[[3-[(3~{R})-4-ethyl-3-(2-hydroxyethyl)piperazin-1-yl]carbonyl-4-fluoranyl-phenyl]methyl]pyrimidine-2,4-dione | non-polymer | 432.5 | 2 | Chemie (A1D9M) | |||
| 4 | F, G (A, B) | water | water | 18.0 | 303 | Chemie (HOH) |
Sequence modifications
A, B: 230 - 581 (UniProt: Q9UGN5)
| PDB | External Database | Details |
|---|---|---|
| Gly 229 | - | expression tag |
| Ser 349 | Thr 349 | engineered mutation |
| Arg 351 | Leu 351 | engineered mutation |
| Gly 353 | Ser 353 | engineered mutation |
| Leu 354 | Pro 354 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 79931.8 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 957.1 | |
| All* | Total formula weight | 80888.9 |
