7M3S
The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Tryptophan synthase alpha chain | polymer | 268 | 28698.8 | 1 | UniProt (P00929) Pfam (PF00290) | Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) | |
| 2 | B (B) | Tryptophan synthase beta chain | polymer | 397 | 42918.9 | 1 | UniProt (P0A2K1) Pfam (PF00291) | Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) | |
| 3 | C, I (A, B) | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE | non-polymer | 329.2 | 2 | Chemie (F6F) | |||
| 4 | D, G, J, K, M... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 7 | Chemie (EDO) | |||
| 5 | E, R (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 6 | F (B) | PYRIDOXAL-5'-PHOSPHATE | non-polymer | 247.1 | 1 | Chemie (PLP) | |||
| 7 | H (B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 8 | L (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 9 | P, Q (B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 10 | S, T (A, B) | water | water | 18.0 | 550 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 71617.7 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 1641.1 | |
| All* | Total formula weight | 73258.8 |
