1NCE
Crystal structure of a ternary complex of E. coli thymidylate synthase D169C with dUMP and the antifolate CB3717
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) | Thymidylate synthase | polymer | 264 | 30547.7 | 2 | UniProt (P0A884) Pfam (PF00303) | Escherichia coli Escherichia coli O157:H7 ( ) | TS, TSase |
| 2 | C, E (A, B) | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE | non-polymer | 308.2 | 2 | Chemie (UMP) | |||
| 3 | D, F (A, B) | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | non-polymer | 477.5 | 2 | Chemie (CB3) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 178 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 264 (UniProt: P0A884)
| PDB | External Database | Details |
|---|---|---|
| Cxm 1 | Met 1 | modified residue |
| Cys 169 | Asp 169 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 61095.4 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1571.3 | |
| All* | Total formula weight | 62666.7 |
