4R5W
Human artd1 (parp1) - catalytic domain in complex with inhibitor xav939
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, D, E, F, G... (A, B) | SULFATE ION | non-polymer | 96.1 | 7 | Chemie (SO4) | |||
| 3 | H, K (A, B) | 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol | non-polymer | 312.3 | 2 | Chemie (XAV) | |||
| 4 | L, M (A, B) | water | water | 18.0 | 11 | Chemie (HOH) |
Sequence modifications
A, B: 662 - 1011 (UniProt: P09874)
| PDB | External Database | Details |
|---|---|---|
| Met 661 | - | initiating methionine |
| Ala 762 | Val 762 | variant |
| Ala 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 | 9 |
| Total formula weight | 1297.1 | |
| All* | Total formula weight | 81697.0 |
