6XSY
The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine (KOU) at the 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 | C, CA, D, DA, E... (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 20 | Chemie (DMS) | |||
| 4 | J (A) | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE | non-polymer | 365.2 | 1 | Chemie (F9F) | |||
| 5 | AA, BA, L, M (B, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 6 | IA, JA, KA, LA, MA... (B, A) | CHLORIDE ION | non-polymer | 35.5 | 9 | Chemie (CL) | |||
| 7 | FA (B) | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine | non-polymer | 334.2 | 1 | Chemie (KOU) | |||
| 8 | GA, HA (B) | CESIUM ION | non-polymer | 132.9 | 2 | Chemie (CS) | |||
| 9 | NA, OA (A, B) | water | water | 18.0 | 910 | 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 | 37 |
| Total formula weight | 3095.3 | |
| All* | Total formula weight | 74696.9 |
