1JU6
Human Thymidylate Synthase Complex with dUMP and LY231514, A Pyrrolo(2,3-d)pyrimidine-based Antifolate
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | THYMIDYLATE SYNTHASE | polymer | 313 | 35734.9 | 4 | UniProt (P04818) Pfam (PF00303) | Homo sapiens (human) | TS |
| 2 | E (A) | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 3 | F, H, J, L (A, B, C, D) | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE | non-polymer | 308.2 | 4 | Chemie (UMP) | |||
| 4 | G, I, K, M (A, B, C, D) | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID | non-polymer | 427.4 | 4 | Chemie (LYA) | |||
| 5 | N, O, P, Q (A, B, C, D) | water | water | 18.0 | 48 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 313 (UniProt: P04818)
| PDB | External Database | Details |
|---|---|---|
| Glu 46 | Arg 46 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 142939.4 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 3037.3 | |
| All* | Total formula weight | 145976.8 |
