6D0V
Tryptophan synthase Q114A mutant in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination 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 | 6 |
| Details | binding site for residue DMS A 301 |
| Chain | Residue |
| A | SER55 |
| A | PHE72 |
| A | HOH616 |
| A | HOH656 |
| B | GLN293 |
| B | HOH780 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue DMS A 302 |
| Chain | Residue |
| A | ASP124 |
| A | ASN147 |
| A | HOH415 |
| A | MET1 |
| A | ARG3 |
| A | VAL123 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue DMS A 303 |
| Chain | Residue |
| A | PHE82 |
| A | ARG117 |
| A | HOH408 |
| A | HOH496 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue DMS A 304 |
| Chain | Residue |
| A | ALA265 |
| A | ALA268 |
| A | HOH640 |
| A | HOH662 |
| B | LYS99 |
| B | ARG100 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue DMS A 305 |
| Chain | Residue |
| A | PHE139 |
| A | ARG140 |
| A | PRO150 |
| A | ILE151 |
| A | PHE152 |
| A | HOH426 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 307 |
| Chain | Residue |
| A | ALA167 |
| A | GLY170 |
| A | HIS204 |
| A | HOH531 |
| site_id | AC7 |
| Number of Residues | 20 |
| Details | binding site for residue F9F A 308 |
| 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 | HOH422 |
| A | HOH428 |
| A | HOH487 |
| B | PRO18 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 309 |
| Chain | Residue |
| A | SER180 |
| A | GLY181 |
| A | ASN187 |
| A | HOH526 |
| B | GLY179 |
| B | DMS405 |
| site_id | AC9 |
| Number of Residues | 22 |
| Details | binding site for residue 0JO B 401 |
| Chain | Residue |
| B | HIS86 |
| B | LYS87 |
| B | THR110 |
| B | GLY111 |
| B | ALA112 |
| B | GLY113 |
| 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 | HOH543 |
| B | HOH592 |
| B | HOH596 |
| site_id | AD1 |
| Number of Residues | 7 |
| Details | binding site for residue CS B 402 |
| Chain | Residue |
| B | VAL231 |
| B | GLY232 |
| B | GLU256 |
| B | GLY268 |
| B | LEU304 |
| B | PHE306 |
| B | SER308 |
| site_id | AD2 |
| Number of Residues | 8 |
| Details | binding site for residue CS B 403 |
| Chain | Residue |
| B | GLY54 |
| B | GLY54 |
| B | PRO56 |
| B | PRO56 |
| B | DMS406 |
| B | DMS406 |
| B | HOH762 |
| B | HOH762 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue CS B 404 |
| Chain | Residue |
| B | THR66 |
| B | THR69 |
| B | THR71 |
| B | HOH860 |
| site_id | AD4 |
| Number of Residues | 7 |
| Details | binding site for residue DMS B 405 |
| Chain | Residue |
| A | SER180 |
| A | EDO309 |
| B | GLY179 |
| B | SER180 |
| B | TYR181 |
| B | GLU182 |
| B | PEG428 |
| site_id | AD5 |
| Number of Residues | 8 |
| Details | binding site for residue DMS B 406 |
| Chain | Residue |
| B | LYS50 |
| B | ARG55 |
| B | PRO56 |
| B | THR57 |
| B | GLN215 |
| B | CS403 |
| B | CS403 |
| B | HOH762 |
| site_id | AD6 |
| Number of Residues | 5 |
| Details | binding site for residue DMS B 407 |
| Chain | Residue |
| B | LYS137 |
| B | TYR298 |
| B | HOH517 |
| B | HOH669 |
| B | HOH749 |
| site_id | AD7 |
| Number of Residues | 6 |
| Details | binding site for residue DMS B 408 |
| Chain | Residue |
| B | GLN42 |
| B | ALA46 |
| B | LEU49 |
| B | HOH637 |
| B | HOH894 |
| B | HOH937 |
| site_id | AD8 |
| Number of Residues | 5 |
| Details | binding site for residue DMS B 409 |
| Chain | Residue |
| B | ALA124 |
| B | LEU128 |
| B | CYS130 |
| B | GLY153 |
| B | ALA154 |
| site_id | AD9 |
| Number of Residues | 3 |
| Details | binding site for residue DMS B 410 |
| Chain | Residue |
| B | ASN64 |
| B | HIS342 |
| B | HOH608 |
| site_id | AE1 |
| Number of Residues | 2 |
| Details | binding site for residue DMS B 411 |
| Chain | Residue |
| B | GLU331 |
| B | HOH560 |
| site_id | AE2 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 412 |
| Chain | Residue |
| B | ILE262 |
| B | HIS267 |
| B | HIS273 |
| B | HOH615 |
| site_id | AE3 |
| Number of Residues | 1 |
| Details | binding site for residue DMS B 413 |
| Chain | Residue |
| B | TYR8 |
| site_id | AE4 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 414 |
| Chain | Residue |
| B | PHE147 |
| B | ARG150 |
| B | HIS388 |
| B | HOH721 |
| site_id | AE5 |
| Number of Residues | 3 |
| Details | binding site for residue DMS B 415 |
| Chain | Residue |
| B | GLN36 |
| B | LYS37 |
| B | HOH903 |
| site_id | AE6 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 416 |
| Chain | Residue |
| B | GLN36 |
| site_id | AE7 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 417 |
| Chain | Residue |
| B | GLY153 |
| site_id | AE8 |
| Number of Residues | 2 |
| Details | binding site for residue EDO B 419 |
| Chain | Residue |
| B | GLU295 |
| B | GLU296 |
| site_id | AE9 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 420 |
| Chain | Residue |
| B | GLU211 |
| B | ALA214 |
| B | HOH719 |
| B | HOH767 |
| site_id | AF1 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 421 |
| Chain | Residue |
| B | TYR133 |
| B | GLU172 |
| B | ARG175 |
| B | ASP176 |
| B | HOH614 |
| site_id | AF2 |
| Number of Residues | 2 |
| Details | binding site for residue EDO B 422 |
| Chain | Residue |
| B | ARG363 |
| B | HOH774 |
| site_id | AF3 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 423 |
| Chain | Residue |
| B | TYR8 |
| B | PHE9 |
| B | TYR315 |
| B | HOH574 |
| B | HOH619 |
| B | HOH723 |
| site_id | AF4 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 424 |
| Chain | Residue |
| B | VAL159 |
| B | HIS160 |
| B | HOH783 |
| site_id | AF5 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 425 |
| Chain | Residue |
| B | HIS273 |
| B | ARG275 |
| B | MET286 |
| B | MET287 |
| B | GLN288 |
| B | HOH522 |
| B | HOH684 |
| site_id | AF6 |
| Number of Residues | 13 |
| Details | binding site for residue SER B 426 |
| Chain | Residue |
| A | SER55 |
| A | ASP56 |
| A | PRO57 |
| A | GLN65 |
| B | SER161 |
| B | GLY162 |
| B | ASN171 |
| B | ARG175 |
| B | HOH532 |
| B | HOH549 |
| B | HOH662 |
| B | HOH711 |
| B | HOH832 |
| site_id | AF7 |
| Number of Residues | 8 |
| Details | binding site for residue PEG B 427 |
| Chain | Residue |
| B | ASN51 |
| B | TYR52 |
| B | THR60 |
| B | LYS61 |
| B | LEU125 |
| B | GLU343 |
| B | HOH609 |
| B | HOH805 |
| site_id | AF8 |
| Number of Residues | 6 |
| Details | binding site for residue PEG B 428 |
| Chain | Residue |
| B | GLY179 |
| B | SER180 |
| B | GLU182 |
| B | THR183 |
| B | DMS405 |
| B | HOH725 |
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 |
