4LI8
TANKYRASE-1 complexed with small molecule inhibitor 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Tankyrase-1 | polymer | 224 | 25409.7 | 2 | UniProt (O95271) Pfam (PF00644) In PDB | 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 | A, B | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | A, B | 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide | non-polymer | 524.6 | 2 | Chemie (1XQ) | |||
| 4 | A, B | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 5 | water | water | 18.0 | 88 | 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 | 8 |
| Total formula weight | 1564.3 | |
| All* | Total formula weight | 52383.7 |
