6XE3
Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) 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 | 20 |
| Details | binding site for residue F9F A 301 |
| Chain | Residue |
| A | PHE22 |
| A | THR183 |
| A | GLY184 |
| A | PHE212 |
| A | GLY213 |
| A | GLY234 |
| A | SER235 |
| A | HOH423 |
| A | HOH453 |
| A | HOH465 |
| A | HOH516 |
| A | GLU49 |
| B | PRO18 |
| A | ALA59 |
| A | ILE64 |
| A | LEU100 |
| A | LEU127 |
| A | ALA129 |
| A | ILE153 |
| A | TYR175 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 302 |
| Chain | Residue |
| A | ILE41 |
| A | GLY44 |
| A | ALA45 |
| A | ASP46 |
| A | HOH439 |
| A | HOH522 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 303 |
| Chain | Residue |
| A | ASN12 |
| A | GLU16 |
| A | GLY17 |
| A | VAL224 |
| A | ALA228 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 304 |
| Chain | Residue |
| A | LEU191 |
| A | LEU193 |
| A | ALA222 |
| A | ALA226 |
| A | HOH405 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 305 |
| Chain | Residue |
| A | PHE107 |
| A | ASN108 |
| A | HOH406 |
| A | HOH472 |
| A | HOH491 |
| B | ARG275 |
| B | VAL276 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue CS A 306 |
| Chain | Residue |
| A | ALA167 |
| A | GLY170 |
| A | HIS204 |
| site_id | AC7 |
| Number of Residues | 1 |
| Details | binding site for residue CL A 307 |
| Chain | Residue |
| A | GLU186 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | binding site for residue DMS A 308 |
| Chain | Residue |
| A | MET1 |
| A | ARG3 |
| A | VAL123 |
| A | ASP124 |
| A | HIS146 |
| A | ASN147 |
| A | ILE148 |
| A | HOH494 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 309 |
| Chain | Residue |
| A | ILE41 |
| A | HIS92 |
| A | PRO93 |
| A | THR94 |
| A | ILE95 |
| site_id | AD1 |
| Number of Residues | 6 |
| Details | binding site for residue DMS A 310 |
| Chain | Residue |
| A | PHE139 |
| A | ARG140 |
| A | PRO150 |
| A | ILE151 |
| A | PHE152 |
| A | HOH426 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue DMS A 311 |
| Chain | Residue |
| A | PHE82 |
| A | ARG117 |
| A | HOH572 |
| site_id | AD3 |
| Number of Residues | 21 |
| Details | binding site for residue 1D0 B 401 |
| Chain | Residue |
| B | ALA85 |
| B | HIS86 |
| B | LYS87 |
| B | GLU109 |
| B | THR110 |
| B | GLY111 |
| B | GLY113 |
| B | GLN114 |
| B | HIS115 |
| B | THR190 |
| B | GLY232 |
| B | GLY233 |
| B | GLY234 |
| B | SER235 |
| B | ASN236 |
| B | GLY303 |
| B | PHE306 |
| B | GLU350 |
| B | HOH567 |
| B | HOH598 |
| B | HOH642 |
| site_id | AD4 |
| Number of Residues | 6 |
| Details | binding site for residue DMS B 402 |
| Chain | Residue |
| B | SER143 |
| B | PRO144 |
| B | PHE147 |
| B | ILE384 |
| B | PHE385 |
| B | HIS388 |
| site_id | AD5 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 403 |
| Chain | Residue |
| B | HOH535 |
| B | LEU271 |
| B | ARG363 |
| B | GLU364 |
| site_id | AD6 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 404 |
| Chain | Residue |
| B | GLU210 |
| B | HOH529 |
| B | HOH616 |
| B | HOH704 |
| site_id | AD7 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 405 |
| Chain | Residue |
| B | THR248 |
| B | SER249 |
| B | CS412 |
| site_id | AD8 |
| Number of Residues | 2 |
| Details | binding site for residue EDO B 406 |
| Chain | Residue |
| B | GLN63 |
| B | ASN64 |
| site_id | AD9 |
| Number of Residues | 2 |
| Details | binding site for residue EDO B 407 |
| Chain | Residue |
| B | GLN36 |
| B | GLN42 |
| site_id | AE1 |
| Number of Residues | 7 |
| Details | binding site for residue DMS B 408 |
| Chain | Residue |
| B | HIS357 |
| B | LYS360 |
| B | GLU364 |
| B | HOH558 |
| B | HOH668 |
| B | HOH884 |
| B | HOH920 |
| site_id | AE2 |
| Number of Residues | 1 |
| Details | binding site for residue EDO B 409 |
| Chain | Residue |
| B | ASP218 |
| site_id | AE3 |
| Number of Residues | 7 |
| Details | binding site for residue CS B 410 |
| Chain | Residue |
| B | VAL231 |
| B | GLY232 |
| B | GLU256 |
| B | GLY268 |
| B | LEU304 |
| B | PHE306 |
| B | SER308 |
| site_id | AE4 |
| Number of Residues | 4 |
| Details | binding site for residue CS B 411 |
| Chain | Residue |
| B | THR66 |
| B | THR69 |
| B | THR71 |
| B | HOH643 |
| site_id | AE5 |
| Number of Residues | 3 |
| Details | binding site for residue CS B 412 |
| Chain | Residue |
| B | ASP225 |
| B | SER249 |
| B | EDO405 |
| site_id | AE6 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 413 |
| Chain | Residue |
| B | LYS37 |
| site_id | AE7 |
| Number of Residues | 4 |
| Details | binding site for residue CL B 415 |
| Chain | Residue |
| B | GLU369 |
| B | HOH631 |
| B | HOH821 |
| B | HOH857 |
| site_id | AE8 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 416 |
| Chain | Residue |
| B | GLY10 |
| B | GLU11 |
| B | HOH570 |
| site_id | AE9 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 417 |
| Chain | Residue |
| B | LEU4 |
| B | LEU5 |
| B | ASN6 |
| site_id | AF1 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 421 |
| Chain | Residue |
| B | ARG321 |
| site_id | AF2 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 422 |
| Chain | Residue |
| B | HOH709 |
| site_id | AF3 |
| Number of Residues | 2 |
| Details | binding site for residue CL B 423 |
| Chain | Residue |
| B | ASP323 |
| B | HOH550 |
| site_id | AF4 |
| Number of Residues | 2 |
| Details | binding site for residue CL B 424 |
| Chain | Residue |
| B | ARG341 |
| B | HOH929 |
| site_id | AF5 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 426 |
| Chain | Residue |
| B | GLN293 |
| site_id | AF6 |
| Number of Residues | 6 |
| Details | binding site for residue DMS B 427 |
| Chain | Residue |
| B | LYS50 |
| B | GLY54 |
| B | ARG55 |
| B | PRO56 |
| B | THR57 |
| B | GLN215 |
| site_id | AF7 |
| Number of Residues | 5 |
| Details | binding site for residue DMS B 428 |
| Chain | Residue |
| B | GLN42 |
| B | PHE45 |
| B | ALA46 |
| B | LEU49 |
| B | HOH587 |
| site_id | AF8 |
| Number of Residues | 3 |
| Details | binding site for residue DMS B 429 |
| Chain | Residue |
| B | ILE262 |
| B | HIS267 |
| B | HIS273 |
| site_id | AF9 |
| Number of Residues | 2 |
| Details | binding site for residue DMS B 430 |
| Chain | Residue |
| B | GLU211 |
| B | HOH846 |
| site_id | AG1 |
| Number of Residues | 3 |
| Details | binding site for residue DMS B 431 |
| Chain | Residue |
| B | GLU331 |
| B | HOH766 |
| B | HOH822 |
| site_id | AG2 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 432 |
| Chain | Residue |
| B | ILE65 |
| B | HIS342 |
| B | ARG363 |
| B | HOH607 |
| B | HOH682 |
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 | ALA377 | hydrogen bond donor |
