6DUC
Crystal structure of mutant beta-K167T tryptophan synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, cesium ion at the metal coordination site, and 2-aminophenol quinonoid (1D0) at the 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 | 19 |
| Details | binding site for residue F9F A 301 |
| Chain | Residue |
| A | PHE22 |
| A | THR183 |
| A | GLY184 |
| A | PHE212 |
| A | GLY213 |
| A | ILE232 |
| A | GLY234 |
| A | SER235 |
| A | HOH405 |
| A | HOH424 |
| B | PRO18 |
| A | GLU49 |
| A | ALA59 |
| A | ILE64 |
| A | LEU100 |
| A | LEU127 |
| A | ALA129 |
| A | ILE153 |
| A | TYR175 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | binding site for residue DMS A 302 |
| Chain | Residue |
| A | MET1 |
| A | ARG3 |
| A | GLU119 |
| A | VAL123 |
| A | ASP124 |
| A | HIS146 |
| A | ASN147 |
| A | ILE148 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 303 |
| Chain | Residue |
| A | ALA113 |
| A | ALA116 |
| A | HOH498 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 304 |
| Chain | Residue |
| A | ILE41 |
| A | ALA45 |
| A | HOH430 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 305 |
| Chain | Residue |
| A | ALA167 |
| A | GLY170 |
| A | HIS204 |
| site_id | AC6 |
| Number of Residues | 22 |
| Details | binding site for residue 1D0 B 401 |
| Chain | Residue |
| B | HIS86 |
| B | LYS87 |
| B | GLU109 |
| B | THR110 |
| B | GLY111 |
| B | ALA112 |
| B | GLY113 |
| B | GLN114 |
| 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 | GLY378 |
| B | HOH589 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | binding site for residue DMS B 402 |
| Chain | Residue |
| B | GLU331 |
| B | HOH563 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | binding site for residue 2AP B 403 |
| Chain | Residue |
| B | THR3 |
| B | LEU4 |
| B | ASN6 |
| site_id | AC9 |
| Number of Residues | 1 |
| Details | binding site for residue DMS B 404 |
| Chain | Residue |
| B | GLN42 |
| site_id | AD1 |
| Number of Residues | 9 |
| Details | binding site for residue DMS B 405 |
| Chain | Residue |
| B | LYS50 |
| B | GLY54 |
| B | ARG55 |
| B | PRO56 |
| B | THR57 |
| B | ALA58 |
| B | GLN215 |
| B | CS412 |
| B | CS412 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue DMS B 406 |
| Chain | Residue |
| A | SER180 |
| B | GLY179 |
| B | SER180 |
| B | TYR181 |
| B | GLU182 |
| B | HOH716 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 407 |
| Chain | Residue |
| B | MET287 |
| B | GLN288 |
| B | HOH601 |
| site_id | AD4 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 408 |
| Chain | Residue |
| B | LEU48 |
| B | TYR52 |
| B | THR60 |
| B | LYS61 |
| B | GLN63 |
| B | LEU125 |
| B | GLU343 |
| site_id | AD5 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 409 |
| Chain | Residue |
| B | LEU271 |
| B | ASN317 |
| B | ARG363 |
| B | GLU364 |
| site_id | AD6 |
| Number of Residues | 7 |
| Details | binding site for residue CS B 410 |
| Chain | Residue |
| B | SER308 |
| B | VAL231 |
| B | GLY232 |
| B | GLU256 |
| B | GLY268 |
| B | LEU304 |
| B | PHE306 |
| site_id | AD7 |
| Number of Residues | 4 |
| Details | binding site for residue CS B 411 |
| Chain | Residue |
| B | THR66 |
| B | THR69 |
| B | THR71 |
| B | HOH702 |
| site_id | AD8 |
| Number of Residues | 6 |
| Details | binding site for residue CS B 412 |
| Chain | Residue |
| B | GLY54 |
| B | GLY54 |
| B | PRO56 |
| B | PRO56 |
| B | DMS405 |
| B | DMS405 |
| site_id | AD9 |
| Number of Residues | 2 |
| Details | binding site for residue CL B 415 |
| Chain | Residue |
| B | GLU369 |
| B | HOH729 |
| site_id | AE1 |
| Number of Residues | 2 |
| Details | binding site for residue CL B 416 |
| Chain | Residue |
| B | LYS219 |
| B | HOH738 |
| site_id | AE2 |
| Number of Residues | 2 |
| Details | binding site for residue CL B 418 |
| Chain | Residue |
| B | ARG275 |
| B | ALA290 |
| site_id | AE3 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 420 |
| Chain | Residue |
| B | GLN36 |
| site_id | AE4 |
| Number of Residues | 4 |
| Details | binding site for residue CL B 421 |
| Chain | Residue |
| B | VAL325 |
| B | SER326 |
| B | HOH726 |
| B | HOH856 |
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_FI3 |
| 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 |
