7KBN
1.60 Angstrom resolution crystal structure of the beta-Q114A mutant of Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site, and 2-aminophenol quinonoid 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 | Tryptophan synthase alpha chain | polymer | 268 | 28698.8 | 1 | UniProt (P00929) Pfam (PF00290) In PDB | Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) | |
| 2 | B | Tryptophan synthase beta chain | polymer | 397 | 42861.8 | 1 | UniProt (P0A2K1) Pfam (PF00291) In PDB | Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) | |
| 3 | B, A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 19 | Chemie (DMS) | |||
| 4 | A | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE | non-polymer | 365.2 | 1 | Chemie (F9F) | |||
| 5 | A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 7 | Chemie (EDO) | |||
| 6 | A, B | CHLORIDE ION | non-polymer | 35.5 | 7 | Chemie (CL) | |||
| 7 | B | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid | non-polymer | 425.3 | 1 | Chemie (1D0) | |||
| 8 | B | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 3 | Chemie (PEG) | |||
| 9 | B | 2-AMINOPHENOL | non-polymer | 109.1 | 1 | Chemie (2AF) | |||
| 10 | B | CESIUM ION | non-polymer | 132.9 | 2 | Chemie (CS) | |||
| 11 | water | water | 18.0 | 660 | Chemie (HOH) |
Sequence modifications
B: 1 - 397 (UniProt: P0A2K1)
| PDB | External Database | Details |
|---|---|---|
| Ala 114 | Gln 114 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 71560.6 | |
| Non-Polymers* | Number of molecules | 41 |
| Total formula weight | 3651.0 | |
| All* | Total formula weight | 75211.6 |
