4LI7
TANKYRASE-1 complexed with small molecule inhibitor 4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide
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) | Tankyrase-1 | polymer | 224 | 25409.7 | 2 | UniProt (O95271) Pfam (PF00644) | Homo sapiens (human) | TANK1, ADP-ribosyltransferase diphtheria toxin-like 5, ARTD5, Poly [ADP-ribose] polymerase 5A, TNKS-1, TRF1-interacting ankyrin-related ADP-ribose polymerase, Tankyrase I |
| 2 | C, D, E, H, I (A, B) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 3 | F, J (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 4 | G, K (A, B) | 4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide | non-polymer | 443.9 | 2 | Chemie (1XP) | |||
| 5 | L, M (A, B) | water | water | 18.0 | 182 | Chemie (HOH) |
Sequence modifications
A, B: 1105 - 1327 (UniProt: O95271)
| PDB | External Database | Details |
|---|---|---|
| Gly 1104 | - | expression tag |
| Ile 1266 | Met 1266 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 50819.4 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1414.1 | |
| All* | Total formula weight | 52233.5 |
