4ZQC
Tryptophan Synthase from Salmonella typhimurium in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor in the alpha-site and a single F6F molecule in the beta-site at 1.54 Angstrom resolution.
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000162 | biological_process | L-tryptophan biosynthetic process |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004834 | molecular_function | tryptophan synthase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005829 | cellular_component | cytosol |
| A | 0006568 | biological_process | L-tryptophan metabolic process |
| A | 0008652 | biological_process | amino acid biosynthetic process |
| A | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| A | 0016829 | molecular_function | lyase activity |
| B | 0000162 | biological_process | L-tryptophan biosynthetic process |
| B | 0004834 | molecular_function | tryptophan synthase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0006568 | biological_process | L-tryptophan metabolic process |
| B | 0008652 | biological_process | amino acid biosynthetic process |
| B | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| B | 0016829 | molecular_function | lyase activity |
| B | 0042802 | molecular_function | identical protein binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 18 |
| Details | binding site for residue F6F A 301 |
| Chain | Residue |
| A | GLU49 |
| A | GLY213 |
| A | GLY234 |
| A | SER235 |
| A | F6F302 |
| A | HOH415 |
| A | HOH418 |
| A | HOH433 |
| A | HOH675 |
| B | PRO18 |
| A | ALA59 |
| A | ASP60 |
| A | LEU100 |
| A | LEU127 |
| A | ALA129 |
| A | ILE153 |
| A | TYR175 |
| A | PHE212 |
| site_id | AC2 |
| Number of Residues | 17 |
| Details | binding site for residue F6F A 302 |
| Chain | Residue |
| A | LEU58 |
| A | ALA59 |
| A | ASP60 |
| A | GLY61 |
| A | ILE64 |
| A | ARG179 |
| A | PHE212 |
| A | SER235 |
| A | F6F301 |
| A | HOH433 |
| A | HOH464 |
| B | PRO18 |
| B | ILE20 |
| B | LEU21 |
| B | LEU174 |
| B | ARG175 |
| B | SER178 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue DMS A 303 |
| Chain | Residue |
| A | PHE22 |
| A | THR24 |
| A | GLY51 |
| A | VAL52 |
| A | ASP60 |
| A | ASN68 |
| A | LEU100 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue DMS A 304 |
| Chain | Residue |
| A | MET1 |
| A | ASN147 |
| A | ILE148 |
| A | ALA149 |
| A | ARG171 |
| A | HOH429 |
| A | HOH523 |
| site_id | AC5 |
| Number of Residues | 1 |
| Details | binding site for residue DMS A 305 |
| Chain | Residue |
| A | GLU16 |
| site_id | AC6 |
| Number of Residues | 19 |
| Details | binding site for residue PLP B 401 |
| Chain | Residue |
| B | ALA85 |
| B | HIS86 |
| B | LYS87 |
| B | GLN114 |
| B | THR190 |
| B | CYS230 |
| B | GLY232 |
| B | GLY233 |
| B | GLY234 |
| B | SER235 |
| B | ASN236 |
| B | GLY303 |
| B | GLU350 |
| B | SER377 |
| B | GLY378 |
| B | HOH521 |
| B | HOH678 |
| B | HOH683 |
| B | HOH735 |
| site_id | AC7 |
| Number of Residues | 19 |
| Details | binding site for residue F6F B 402 |
| Chain | Residue |
| B | LYS87 |
| B | GLU109 |
| B | THR110 |
| B | GLY111 |
| B | GLN114 |
| B | HIS115 |
| B | CYS170 |
| B | LEU174 |
| B | TYR186 |
| B | LEU188 |
| B | THR190 |
| B | GLY193 |
| B | PRO194 |
| B | PHE280 |
| B | PHE306 |
| B | HOH515 |
| B | HOH521 |
| B | HOH571 |
| B | HOH709 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue NA B 403 |
| Chain | Residue |
| B | GLY232 |
| B | PHE306 |
| B | SER308 |
| B | HOH593 |
| B | HOH697 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue DMS B 404 |
| Chain | Residue |
| B | THR66 |
| B | THR69 |
| B | ARG70 |
| B | THR71 |
| B | HOH617 |
| B | HOH721 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue DMS B 405 |
| Chain | Residue |
| B | HIS273 |
| B | MET286 |
| B | MET287 |
| B | GLN288 |
| B | HOH594 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 406 |
| Chain | Residue |
| B | ASN51 |
| B | THR60 |
| B | LYS61 |
| B | HOH634 |
| site_id | AD3 |
| Number of Residues | 6 |
| Details | binding site for residue DMS B 407 |
| Chain | Residue |
| B | GLN42 |
| B | ALA46 |
| B | MET207 |
| B | HOH942 |
| B | HOH945 |
| B | HOH974 |
| site_id | AD4 |
| Number of Residues | 3 |
| Details | binding site for residue DMS B 408 |
| Chain | Residue |
| B | GLU331 |
| B | HOH527 |
| B | HOH832 |
| site_id | AD5 |
| Number of Residues | 6 |
| Details | binding site for residue DMS B 409 |
| Chain | Residue |
| B | ALA112 |
| B | GLN114 |
| B | GLN142 |
| B | LYS382 |
| B | ASP383 |
| B | HOH614 |
| site_id | AD6 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 410 |
| Chain | Residue |
| B | ARG150 |
| B | ARG341 |
| B | ILE397 |
| B | HOH744 |
| site_id | AD7 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 412 |
| Chain | Residue |
| B | GLN36 |
| B | LYS37 |
| B | ASP38 |
| B | PRO39 |
Functional Information from PROSITE/UniProt
| site_id | PS00167 |
| Number of Residues | 14 |
| Details | TRP_SYNTHASE_ALPHA Tryptophan synthase alpha chain signature. LELGvPFSDPLADG |
| Chain | Residue | Details |
| A | LEU48-GLY61 |
| site_id | PS00168 |
| Number of Residues | 15 |
| Details | TRP_SYNTHASE_BETA Tryptophan synthase beta chain pyridoxal-phosphate attachment site. LlHgGAHKtNqvLgQ |
| Chain | Residue | Details |
| B | LEU80-GLN94 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"N6-(pyridoxal phosphate)lysine"} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 383 |
| Chain | Residue | Details |
| B | LYS87 | electron pair acceptor, electron pair donor, nucleofuge, nucleophile, proton acceptor, proton donor |
| B | GLU109 | |
| B | SER377 | hydrogen bond donor |
