6DUC
Crystal structure of mutant beta-K167T tryptophan synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, cesium ion at the metal coordination site, and 2-aminophenol quinonoid (1D0) 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 (A0A0D6FWC1) Pfam (PF00290) UniProt (by SIFTS) (P00929) | Salmonella typhimurium (Salmonella enterica subsp. enterica serovar Typhimurium) | |
| 2 | B (B) | Tryptophan synthase beta chain | polymer | 397 | 42890.8 | 1 | UniProt (A0A0J0ZFZ1) Pfam (PF00291) UniProt (by SIFTS) (P0A2K1) | Salmonella typhimurium (Salmonella enterica subsp. enterica serovar Typhimurium) | |
| 3 | C (A) | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE | non-polymer | 365.2 | 1 | Chemie (F9F) | |||
| 4 | D, I, K, L, M... (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 6 | Chemie (DMS) | |||
| 5 | E, N, O (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 6 | AA, BA, F, G, T... (B, A) | CHLORIDE ION | non-polymer | 35.5 | 11 | Chemie (CL) | |||
| 7 | H (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 | J (B) | 2-AMINOPYRIDINE | non-polymer | 95.1 | 1 | Chemie (2AP) | |||
| 9 | Q, R, S (B) | CESIUM ION | non-polymer | 132.9 | 3 | Chemie (CS) | |||
| 10 | CA, DA (A, B) | water | water | 18.0 | 519 | Chemie (HOH) |
Sequence modifications
B: 1 - 397 (UniProt: A0A0J0ZFZ1)
| PDB | External Database | Details |
|---|---|---|
| Thr 167 | Lys 167 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 71589.6 | |
| Non-Polymers* | Number of molecules | 26 |
| Total formula weight | 2329.4 | |
| All* | Total formula weight | 73919.0 |
