4LI6
TANKYRASE-1 Complexed with small molecule inhibitor N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
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, I (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D, E, F, G, J (A, B) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 4 | H, K (A, B) | N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide | non-polymer | 403.5 | 2 | Chemie (1XO) | |||
| 5 | L, M (A, B) | water | water | 18.0 | 347 | 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 | 1418.1 | |
| All* | Total formula weight | 52237.5 |
