7KXC
The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, sodium ion at the metal coordination site and benzimidazole (BZI) at the enzyme beta-site at 1.30 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 | Tryptophan synthase alpha chain | polymer | 268 | 28698.8 | 1 | UniProt (A0A0D6FWC1) Pfam (PF00290) UniProt (by SIFTS) (P00929) In PDB | Salmonella enterica subsp. enterica serovar Typhimurium | |
| 2 | B | Tryptophan synthase beta chain | polymer | 397 | 42918.9 | 1 | UniProt (P0A2K1) Pfam (PF00291) In PDB | Salmonella enterica subsp. enterica serovar Typhimurium | |
| 3 | A | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE | non-polymer | 365.2 | 1 | Chemie (F9F) | |||
| 4 | A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 5 | Chemie (EDO) | |||
| 5 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | B | 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid | non-polymer | 316.2 | 1 | Chemie (0JO) | |||
| 7 | B | BENZIMIDAZOLE | non-polymer | 118.1 | 2 | Chemie (BZI) | |||
| 8 | B | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 9 | B | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 10 | B | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 11 | water | water | 18.0 | 703 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 71617.7 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1542.8 | |
| All* | Total formula weight | 73160.4 |
