4N4V
Co-crystal structure of tankyrase 1 with compound 4 [(4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one]
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 | 217 | 25041.3 | 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 | (4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one | non-polymer | 443.5 | 2 | Chemie (2GY) | |||
4 | water | water | 18.0 | 354 | Chemie (HOH) |
Sequence modifications
A, B: 1104 - 1314 (UniProt: O95271)
PDB | External Database | Details |
---|---|---|
His 1315 | - | expression tag |
His 1316 | - | expression tag |
His 1317 | - | expression tag |
His 1318 | - | expression tag |
His 1319 | - | expression tag |
His 1320 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 50082.7 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 1017.9 | |
All* | Total formula weight | 51100.6 |