7JLL
The internal aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site and L-Tryptophan at the enzyme beta-site
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 | 42902.9 | 1 | UniProt (P0A2K1) Pfam (PF00291) | Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) | |
| 3 | AA, BA, C, CA, D... (B, A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 24 | Chemie (DMS) | |||
| 4 | I (A) | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE | non-polymer | 365.2 | 1 | Chemie (F9F) | |||
| 5 | J, TA, UA (A, B) | CESIUM ION | non-polymer | 132.9 | 3 | Chemie (CS) | |||
| 6 | IA, K (B, A) | TRYPTOPHAN | non-polymer | 204.2 | 2 | Chemie (TRP) | |||
| 7 | P (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 8 | AB, BB, CB, DB, EB... (B, A) | CHLORIDE ION | non-polymer | 35.5 | 23 | Chemie (CL) | |||
| 9 | JA (B) | PYRIDOXAL-5'-PHOSPHATE | non-polymer | 247.1 | 1 | Chemie (PLP) | |||
| 10 | QA, RA, SA (B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 11 | IB, JB (A, B) | water | water | 18.0 | 744 | Chemie (HOH) |
Sequence modifications
B: 1 - 397 (UniProt: P0A2K1)
| PDB | External Database | Details |
|---|---|---|
| Ala 377 | Ser 377 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 71601.7 | |
| Non-Polymers* | Number of molecules | 58 |
| Total formula weight | 4402.5 | |
| All* | Total formula weight | 76004.1 |
