6O1H
Tryptophan synthase Q114A mutant 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
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 | 10 |
| Details | binding site for residue DMS A 401 |
| Chain | Residue |
| A | MET1 |
| A | HOH534 |
| A | ARG3 |
| A | GLY122 |
| A | VAL123 |
| A | ASP124 |
| A | HIS146 |
| A | ASN147 |
| A | ILE148 |
| A | HOH521 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue DMS A 402 |
| Chain | Residue |
| A | PHE139 |
| A | ARG140 |
| A | PRO150 |
| A | ILE151 |
| A | PHE152 |
| A | HOH509 |
| site_id | AC3 |
| Number of Residues | 22 |
| Details | binding site for residue F9F A 403 |
| Chain | Residue |
| A | PHE22 |
| A | GLU49 |
| A | ALA59 |
| A | ILE64 |
| A | LEU100 |
| A | LEU127 |
| A | ALA129 |
| A | ILE153 |
| A | TYR175 |
| A | THR183 |
| A | GLY184 |
| A | PHE212 |
| A | GLY213 |
| A | ILE232 |
| A | GLY234 |
| A | SER235 |
| A | HOH522 |
| A | HOH559 |
| A | HOH576 |
| A | HOH577 |
| A | HOH700 |
| B | PRO18 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue DMS A 404 |
| Chain | Residue |
| A | MET1 |
| A | ASN147 |
| A | ILE148 |
| A | ALA149 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue CS A 405 |
| Chain | Residue |
| A | ALA167 |
| A | GLY170 |
| A | HIS204 |
| A | HOH647 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 407 |
| Chain | Residue |
| A | SER180 |
| A | HOH628 |
| B | GLY179 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue HVK B 401 |
| Chain | Residue |
| B | THR3 |
| B | LEU4 |
| B | LEU5 |
| B | ASN6 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | binding site for residue DMS B 402 |
| Chain | Residue |
| B | LYS50 |
| B | GLY54 |
| B | ARG55 |
| B | PRO56 |
| B | PRO56 |
| B | THR57 |
| B | HOH514 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue DMS B 403 |
| Chain | Residue |
| A | SER180 |
| B | GLY179 |
| B | SER180 |
| B | TYR181 |
| B | GLU182 |
| B | HOH570 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue DMS B 404 |
| Chain | Residue |
| B | GLN42 |
| B | ALA46 |
| B | LEU49 |
| B | HOH750 |
| B | HOH915 |
| site_id | AD2 |
| Number of Residues | 20 |
| Details | binding site for residue 1D0 B 405 |
| Chain | Residue |
| B | HIS86 |
| B | LYS87 |
| B | GLU109 |
| B | THR110 |
| B | GLY111 |
| B | ALA112 |
| B | ALA114 |
| B | HIS115 |
| B | LEU166 |
| B | THR190 |
| B | CYS230 |
| B | GLY232 |
| B | GLY233 |
| B | GLY234 |
| B | SER235 |
| B | ASN236 |
| B | GLY303 |
| B | GLU350 |
| B | SER377 |
| B | HOH664 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue DMS B 406 |
| Chain | Residue |
| B | TYR133 |
| B | GLU172 |
| B | ARG175 |
| B | ASP176 |
| B | HOH853 |
| site_id | AD4 |
| Number of Residues | 2 |
| Details | binding site for residue DMS B 407 |
| Chain | Residue |
| B | GLU331 |
| B | HOH587 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue CS B 408 |
| Chain | Residue |
| B | THR69 |
| B | THR71 |
| B | THR66 |
| site_id | AD6 |
| Number of Residues | 7 |
| Details | binding site for residue CS B 409 |
| Chain | Residue |
| B | VAL231 |
| B | GLY232 |
| B | GLU256 |
| B | GLY268 |
| B | LEU304 |
| B | PHE306 |
| B | SER308 |
| site_id | AD7 |
| Number of Residues | 4 |
| Details | binding site for residue CL B 411 |
| Chain | Residue |
| A | ARG225 |
| B | SER34 |
| B | ARG100 |
| B | HOH784 |
| site_id | AD8 |
| Number of Residues | 2 |
| Details | binding site for residue CL B 412 |
| Chain | Residue |
| B | GLN36 |
| B | GLN42 |
| site_id | AD9 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 413 |
| Chain | Residue |
| B | TYR8 |
| site_id | AE1 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 415 |
| Chain | Residue |
| B | TYR315 |
| B | HOH729 |
| B | HOH764 |
| site_id | AE2 |
| Number of Residues | 2 |
| Details | binding site for residue CL B 416 |
| Chain | Residue |
| B | VAL325 |
| B | SER326 |
| site_id | AE3 |
| Number of Residues | 4 |
| Details | binding site for residue CL B 417 |
| Chain | Residue |
| B | THR248 |
| B | GLY251 |
| B | HOH752 |
| B | HOH838 |
| site_id | AE4 |
| Number of Residues | 2 |
| Details | binding site for residue CL B 418 |
| Chain | Residue |
| A | HOH594 |
| B | ARG175 |
| site_id | AE5 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 420 |
| Chain | Residue |
| B | HOH772 |
| site_id | AE6 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 421 |
| Chain | Residue |
| B | LYS219 |
| B | GLU220 |
| B | GLY221 |
| site_id | AE7 |
| Number of Residues | 2 |
| Details | binding site for residue CL B 422 |
| Chain | Residue |
| B | ASP225 |
| B | SER249 |
| site_id | AE8 |
| Number of Residues | 4 |
| Details | binding site for residue CL B 423 |
| Chain | Residue |
| B | VAL159 |
| B | HIS160 |
| B | SER161 |
| B | HOH848 |
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 |
