6DZO
Crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine 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 | 20 |
| 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 | HOH412 |
| A | HOH432 |
| A | HOH483 |
| 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 DMS A 302 |
| Chain | Residue |
| A | PHE139 |
| A | ARG140 |
| A | PRO150 |
| A | ILE151 |
| A | PHE152 |
| A | HOH417 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | binding site for residue DMS A 303 |
| Chain | Residue |
| A | MET1 |
| A | GLU2 |
| A | ARG3 |
| A | GLU119 |
| A | VAL123 |
| A | ASP124 |
| A | HIS146 |
| A | ASN147 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue DMS A 304 |
| Chain | Residue |
| A | LEU191 |
| A | LEU193 |
| A | GLN210 |
| A | ALA222 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue DMS A 305 |
| Chain | Residue |
| A | SER221 |
| A | ARG225 |
| A | ALA268 |
| A | HOH515 |
| B | LYS99 |
| B | HOH691 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 306 |
| Chain | Residue |
| A | ILE41 |
| A | HIS92 |
| A | PRO93 |
| A | THR94 |
| A | ILE95 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 307 |
| Chain | Residue |
| A | ALA167 |
| A | GLY170 |
| A | HIS204 |
| site_id | AC8 |
| Number of Residues | 1 |
| Details | binding site for residue CL A 308 |
| Chain | Residue |
| A | HOH597 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue CS B 401 |
| Chain | Residue |
| B | THR66 |
| B | THR69 |
| B | THR71 |
| B | HOH801 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 402 |
| Chain | Residue |
| B | GLN36 |
| B | GLN42 |
| B | DMS406 |
| B | HOH596 |
| site_id | AD2 |
| Number of Residues | 8 |
| Details | binding site for residue CS B 403 |
| Chain | Residue |
| B | VAL231 |
| B | GLY232 |
| B | GLU256 |
| B | GLY268 |
| B | PRO270 |
| B | LEU304 |
| B | PHE306 |
| B | SER308 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 404 |
| Chain | Residue |
| B | GLN42 |
| B | PHE45 |
| B | ALA46 |
| B | HOH844 |
| site_id | AD4 |
| Number of Residues | 3 |
| Details | binding site for residue DMS B 405 |
| Chain | Residue |
| B | ILE262 |
| B | HIS267 |
| B | HIS273 |
| site_id | AD5 |
| Number of Residues | 5 |
| Details | binding site for residue DMS B 406 |
| Chain | Residue |
| B | GLN36 |
| B | LYS37 |
| B | PRO39 |
| B | GLN42 |
| B | EDO402 |
| site_id | AD6 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 407 |
| Chain | Residue |
| B | LYS50 |
| B | ARG55 |
| B | PRO56 |
| B | THR57 |
| site_id | AD7 |
| Number of Residues | 22 |
| Details | binding site for residue KOU B 408 |
| Chain | Residue |
| B | GLY303 |
| B | ASP305 |
| B | GLU350 |
| B | SER377 |
| B | HOH540 |
| B | HOH648 |
| B | HOH667 |
| B | HOH743 |
| B | HIS86 |
| B | LYS87 |
| B | THR110 |
| B | GLY111 |
| B | ALA112 |
| B | GLY113 |
| B | ALA114 |
| B | HIS115 |
| B | THR190 |
| B | GLY232 |
| B | GLY233 |
| B | GLY234 |
| B | SER235 |
| B | ASN236 |
| site_id | AD8 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 409 |
| Chain | Residue |
| B | LEU4 |
| B | LEU5 |
| B | ASN6 |
| site_id | AD9 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 413 |
| Chain | Residue |
| B | HOH583 |
| B | HOH703 |
| B | HOH887 |
| site_id | AE1 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 414 |
| Chain | Residue |
| B | SER297 |
| B | SER299 |
| B | HOH846 |
| site_id | AE2 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 416 |
| Chain | Residue |
| B | HOH766 |
| site_id | AE3 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 417 |
| Chain | Residue |
| B | ASP225 |
| B | LYS368 |
| B | HOH564 |
| site_id | AE4 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 418 |
| Chain | Residue |
| B | GLY179 |
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 |
