6XIN
The crystal structure of tryptophan synthase from Salmonella enterica serovar typhimurium in complex with (2S)-3-Amino-3-imino-2-phenyldiazenylpropanamide at the enzyme alpha-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 | 2 |
| Details | binding site for residue CL A 301 |
| Chain | Residue |
| A | THR94 |
| A | ILE95 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 302 |
| Chain | Residue |
| A | ALA167 |
| A | GLY170 |
| A | HIS204 |
| A | EDO321 |
| site_id | AC3 |
| Number of Residues | 1 |
| Details | binding site for residue CL A 303 |
| Chain | Residue |
| A | HOH433 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue CL A 304 |
| Chain | Residue |
| A | PHE72 |
| A | VAL76 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 306 |
| Chain | Residue |
| A | GLU49 |
| A | ILE64 |
| A | TYR175 |
| A | GLY234 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 307 |
| Chain | Residue |
| A | PHE82 |
| A | PHE114 |
| A | ARG117 |
| A | HOH450 |
| A | HOH543 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 308 |
| Chain | Residue |
| A | LEU58 |
| A | ALA59 |
| A | HOH560 |
| B | V41433 |
| B | HOH875 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | binding site for residue DMS A 309 |
| Chain | Residue |
| A | PHE22 |
| A | THR24 |
| A | GLY51 |
| A | VAL52 |
| A | ASP60 |
| A | ILE64 |
| A | ASN68 |
| A | HOH407 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | binding site for residue DMS A 310 |
| Chain | Residue |
| A | PHE107 |
| A | PRO138 |
| A | PHE139 |
| A | HOH527 |
| A | HOH628 |
| B | TYR16 |
| B | LYS283 |
| site_id | AD1 |
| Number of Residues | 2 |
| Details | binding site for residue DMS A 311 |
| Chain | Residue |
| A | ASN12 |
| A | GLU16 |
| site_id | AD2 |
| Number of Residues | 2 |
| Details | binding site for residue DMS A 312 |
| Chain | Residue |
| A | ARG164 |
| A | SER168 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue DMS A 313 |
| Chain | Residue |
| A | ALA74 |
| A | GLY75 |
| A | GLN80 |
| site_id | AD4 |
| Number of Residues | 6 |
| Details | binding site for residue DMS A 314 |
| Chain | Residue |
| A | LEU34 |
| A | ASP38 |
| A | LYS91 |
| A | LEU144 |
| A | ARG145 |
| A | ASN147 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue DMS A 315 |
| Chain | Residue |
| A | ILE30 |
| A | GLU83 |
| A | LEU87 |
| site_id | AD6 |
| Number of Residues | 4 |
| Details | binding site for residue DMS A 316 |
| Chain | Residue |
| A | ASN108 |
| A | ASN109 |
| B | ARG275 |
| B | ALA290 |
| site_id | AD7 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 317 |
| Chain | Residue |
| A | PHE107 |
| A | ASN108 |
| A | HOH408 |
| A | HOH436 |
| A | HOH493 |
| B | ARG275 |
| B | VAL276 |
| site_id | AD8 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 318 |
| Chain | Residue |
| A | MET1 |
| A | GLU2 |
| A | GLU119 |
| A | VAL123 |
| A | ASP124 |
| A | ASN147 |
| site_id | AD9 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 319 |
| Chain | Residue |
| A | ASN6 |
| A | THR94 |
| A | HOH411 |
| A | HOH444 |
| A | HOH472 |
| site_id | AE1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 320 |
| Chain | Residue |
| A | HIS204 |
| A | ALA205 |
| A | EDO321 |
| A | HOH423 |
| site_id | AE2 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 321 |
| Chain | Residue |
| A | GLU5 |
| A | ARG171 |
| A | GLY172 |
| A | ALA206 |
| A | CL302 |
| A | EDO320 |
| A | HOH471 |
| site_id | AE3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 322 |
| Chain | Residue |
| A | ARG3 |
| A | ARG89 |
| A | PRO93 |
| A | GLN141 |
| A | HOH412 |
| site_id | AE4 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 323 |
| Chain | Residue |
| A | PRO28 |
| A | HOH432 |
| A | HOH512 |
| site_id | AE5 |
| Number of Residues | 9 |
| Details | binding site for residue PGE A 324 |
| Chain | Residue |
| A | ARG267 |
| B | LYS99 |
| B | GLY102 |
| B | LYS103 |
| B | DMS422 |
| A | SER221 |
| A | ARG225 |
| A | ALA264 |
| A | ALA265 |
| site_id | AE6 |
| Number of Residues | 5 |
| Details | binding site for residue PEG A 325 |
| Chain | Residue |
| A | PRO217 |
| A | SER257 |
| A | PHE258 |
| A | HOH577 |
| B | GLU182 |
| site_id | AE7 |
| Number of Residues | 17 |
| Details | binding site for residue PLP B 401 |
| Chain | Residue |
| B | ALA85 |
| B | HIS86 |
| B | LYS87 |
| B | THR190 |
| B | CYS230 |
| B | GLY232 |
| B | GLY233 |
| B | GLY234 |
| B | SER235 |
| B | ASN236 |
| B | GLY303 |
| B | GLU350 |
| B | SER377 |
| B | GLY378 |
| B | HOH564 |
| B | HOH569 |
| B | HOH604 |
| site_id | AE8 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 402 |
| Chain | Residue |
| B | VAL325 |
| B | SER326 |
| B | HOH842 |
| site_id | AE9 |
| Number of Residues | 2 |
| Details | binding site for residue CL B 404 |
| Chain | Residue |
| B | ASP38 |
| B | ARG100 |
| site_id | AF1 |
| Number of Residues | 2 |
| Details | binding site for residue CL B 405 |
| Chain | Residue |
| B | GLU172 |
| B | ARG175 |
| site_id | AF2 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 406 |
| Chain | Residue |
| B | HOH868 |
| site_id | AF3 |
| Number of Residues | 4 |
| Details | binding site for residue CL B 409 |
| Chain | Residue |
| B | GLY10 |
| B | GLU11 |
| B | SER318 |
| B | GLU367 |
| site_id | AF4 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 410 |
| Chain | Residue |
| B | HIS357 |
| B | LYS360 |
| B | GLU364 |
| B | EDO432 |
| site_id | AF5 |
| Number of Residues | 5 |
| Details | binding site for residue DMS B 411 |
| Chain | Residue |
| B | GLN42 |
| B | PHE45 |
| B | ALA46 |
| B | HOH672 |
| B | HOH724 |
| site_id | AF6 |
| Number of Residues | 6 |
| Details | binding site for residue DMS B 412 |
| Chain | Residue |
| B | LYS50 |
| B | GLY54 |
| B | ARG55 |
| B | PRO56 |
| B | THR57 |
| B | GLN215 |
| site_id | AF7 |
| Number of Residues | 2 |
| Details | binding site for residue DMS B 413 |
| Chain | Residue |
| B | GLU211 |
| B | HOH545 |
| site_id | AF8 |
| Number of Residues | 3 |
| Details | binding site for residue DMS B 414 |
| Chain | Residue |
| B | ILE262 |
| B | HIS267 |
| B | HIS273 |
| site_id | AF9 |
| Number of Residues | 2 |
| Details | binding site for residue DMS B 415 |
| Chain | Residue |
| B | LYS37 |
| B | PRO39 |
| site_id | AG1 |
| Number of Residues | 3 |
| Details | binding site for residue DMS B 416 |
| Chain | Residue |
| B | GLU331 |
| B | HOH511 |
| B | HOH559 |
| site_id | AG2 |
| Number of Residues | 2 |
| Details | binding site for residue DMS B 417 |
| Chain | Residue |
| B | GLY10 |
| B | GLU11 |
| site_id | AG3 |
| Number of Residues | 6 |
| Details | binding site for residue DMS B 418 |
| Chain | Residue |
| B | ASN6 |
| B | TYR8 |
| B | PHE9 |
| B | HIS195 |
| B | THR199 |
| B | ARG202 |
| site_id | AG4 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 419 |
| Chain | Residue |
| B | THR3 |
| B | LEU5 |
| B | ASN6 |
| B | HOH787 |
| site_id | AG5 |
| Number of Residues | 5 |
| Details | binding site for residue DMS B 420 |
| Chain | Residue |
| B | LEU48 |
| B | ASN51 |
| B | TYR52 |
| B | THR60 |
| B | LYS61 |
| site_id | AG6 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 421 |
| Chain | Residue |
| B | PHE32 |
| B | GLN36 |
| B | ARG202 |
| B | HOH815 |
| site_id | AG7 |
| Number of Residues | 7 |
| Details | binding site for residue DMS B 422 |
| Chain | Residue |
| A | PGE324 |
| B | PHE41 |
| B | GLN44 |
| B | LEU96 |
| B | ARG100 |
| B | HOH651 |
| B | HOH731 |
| site_id | AG8 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 423 |
| Chain | Residue |
| B | ILE65 |
| B | HIS342 |
| B | ARG363 |
| B | HOH609 |
| site_id | AG9 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 424 |
| Chain | Residue |
| A | GLU218 |
| B | GLN27 |
| B | GLU30 |
| B | ALA31 |
| B | MET101 |
| B | HOH764 |
| site_id | AH1 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 425 |
| Chain | Residue |
| B | ILE245 |
| B | ASN246 |
| B | THR248 |
| B | ARG321 |
| B | HOH565 |
| site_id | AH2 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 426 |
| Chain | Residue |
| B | HIS273 |
| B | GLY274 |
| B | GLN288 |
| B | HOH553 |
| B | HOH699 |
| site_id | AH3 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 427 |
| Chain | Residue |
| B | LYS272 |
| B | HIS273 |
| B | GLY274 |
| site_id | AH4 |
| Number of Residues | 2 |
| Details | binding site for residue EDO B 428 |
| Chain | Residue |
| B | GLN36 |
| B | GLN42 |
| site_id | AH5 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 429 |
| Chain | Residue |
| B | THR248 |
| B | GLY320 |
| B | ARG321 |
| B | HOH624 |
| B | HOH625 |
| B | HOH759 |
| site_id | AH6 |
| Number of Residues | 8 |
| Details | binding site for residue EDO B 430 |
| Chain | Residue |
| A | GLU134 |
| A | PRO155 |
| A | ASN157 |
| A | LEU162 |
| B | GLN19 |
| B | MET22 |
| B | PRO23 |
| B | HOH501 |
| site_id | AH7 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 431 |
| Chain | Residue |
| B | THR110 |
| B | GLY111 |
| B | ALA112 |
| B | GLN114 |
| B | HIS115 |
| B | HOH574 |
| site_id | AH8 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 432 |
| Chain | Residue |
| B | ILE253 |
| B | HIS357 |
| B | DMS410 |
| B | HOH502 |
| B | HOH707 |
| site_id | AH9 |
| Number of Residues | 17 |
| Details | binding site for residue V41 B 433 |
| Chain | Residue |
| A | LEU58 |
| A | ALA59 |
| A | ASP130 |
| A | DMS308 |
| B | TYR16 |
| B | VAL17 |
| B | PRO18 |
| B | LEU21 |
| B | LEU174 |
| B | TRP177 |
| B | TYR186 |
| B | LEU188 |
| B | PRO194 |
| B | PHE280 |
| B | GLY281 |
| B | HOH503 |
| B | HOH577 |
| site_id | AI1 |
| Number of Residues | 7 |
| Details | binding site for residue CS B 434 |
| Chain | Residue |
| B | VAL231 |
| B | GLY232 |
| B | GLU256 |
| B | GLY268 |
| B | LEU304 |
| B | PHE306 |
| B | SER308 |
| site_id | AI2 |
| Number of Residues | 6 |
| Details | binding site for residue CS B 435 |
| Chain | Residue |
| B | THR66 |
| B | THR69 |
| B | THR71 |
| B | HOH719 |
| B | HOH758 |
| B | HOH775 |
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 |
