6LK2
Crystal structure of Providencia alcalifaciens 3-dehydroquinate synthase (DHQS) in complex with Mg2+, NAD and chlorogenic acid
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003856 | molecular_function | 3-dehydroquinate synthase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| A | 0016838 | molecular_function | carbon-oxygen lyase activity, acting on phosphates |
| B | 0003856 | molecular_function | 3-dehydroquinate synthase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| B | 0016838 | molecular_function | carbon-oxygen lyase activity, acting on phosphates |
| C | 0003856 | molecular_function | 3-dehydroquinate synthase activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| C | 0016838 | molecular_function | carbon-oxygen lyase activity, acting on phosphates |
| D | 0003856 | molecular_function | 3-dehydroquinate synthase activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| D | 0016838 | molecular_function | carbon-oxygen lyase activity, acting on phosphates |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 32 |
| Details | binding site for residue NAD A 401 |
| Chain | Residue |
| A | ASN42 |
| A | VAL106 |
| A | ASP109 |
| A | THR129 |
| A | THR130 |
| A | LEU132 |
| A | ASP136 |
| A | SER137 |
| A | LYS142 |
| A | ASN152 |
| A | CYS169 |
| A | THR44 |
| A | THR172 |
| A | LEU173 |
| A | PRO174 |
| A | GLU177 |
| A | LYS226 |
| A | 7LH403 |
| A | HOH503 |
| A | HOH507 |
| A | HOH511 |
| A | HOH512 |
| A | LEU45 |
| A | HOH514 |
| A | HOH529 |
| A | HOH570 |
| A | TYR49 |
| A | ASP71 |
| A | GLU73 |
| A | LYS76 |
| A | GLY104 |
| A | GLY105 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue MG A 402 |
| Chain | Residue |
| A | GLU184 |
| A | HIS248 |
| A | HIS265 |
| A | 7LH403 |
| A | HOH532 |
| site_id | AC3 |
| Number of Residues | 16 |
| Details | binding site for residue 7LH A 403 |
| Chain | Residue |
| A | ASP136 |
| A | LYS142 |
| A | GLU184 |
| A | LYS187 |
| A | LYS226 |
| A | ARG241 |
| A | LEU244 |
| A | ASN245 |
| A | HIS248 |
| A | THR249 |
| A | HIS252 |
| A | HIS265 |
| A | NAD401 |
| A | MG402 |
| A | HOH519 |
| A | HOH532 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 404 |
| Chain | Residue |
| A | THR7 |
| A | GLN228 |
| B | THR5 |
| B | THR7 |
| B | EDO404 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | binding site for residue EDO A 405 |
| Chain | Residue |
| A | ASN245 |
| A | LEU246 |
| A | GLY247 |
| A | HIS248 |
| A | THR249 |
| A | PHE250 |
| A | ALA276 |
| A | ILE334 |
| A | HOH533 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 406 |
| Chain | Residue |
| A | PRO304 |
| A | THR306 |
| A | GLY307 |
| A | HOH543 |
| site_id | AC7 |
| Number of Residues | 30 |
| Details | binding site for residue NAD B 401 |
| Chain | Residue |
| B | HOH553 |
| B | HOH579 |
| B | ASN42 |
| B | THR44 |
| B | LEU45 |
| B | ASP71 |
| B | GLU73 |
| B | LYS76 |
| B | GLY104 |
| B | GLY105 |
| B | VAL106 |
| B | ASP109 |
| B | THR129 |
| B | THR130 |
| B | LEU132 |
| B | ASP136 |
| B | SER137 |
| B | LYS142 |
| B | ASN152 |
| B | CYS169 |
| B | THR172 |
| B | LEU173 |
| B | PRO174 |
| B | GLU177 |
| B | 7LH403 |
| B | HOH506 |
| B | HOH509 |
| B | HOH525 |
| B | HOH531 |
| B | HOH546 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue MG B 402 |
| Chain | Residue |
| B | GLU184 |
| B | HIS248 |
| B | HIS265 |
| B | 7LH403 |
| B | HOH529 |
| site_id | AC9 |
| Number of Residues | 16 |
| Details | binding site for residue 7LH B 403 |
| Chain | Residue |
| B | ASP136 |
| B | LYS142 |
| B | GLU184 |
| B | LYS187 |
| B | LYS226 |
| B | ARG241 |
| B | LEU244 |
| B | ASN245 |
| B | HIS248 |
| B | THR249 |
| B | HIS252 |
| B | HIS265 |
| B | NAD401 |
| B | MG402 |
| B | HOH522 |
| B | HOH529 |
| site_id | AD1 |
| Number of Residues | 8 |
| Details | binding site for residue EDO B 404 |
| Chain | Residue |
| A | THR5 |
| A | THR7 |
| A | EDO404 |
| B | THR5 |
| B | VAL6 |
| B | THR7 |
| B | GLN228 |
| B | ALA231 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue PEG B 405 |
| Chain | Residue |
| A | ALA33 |
| B | GLY34 |
| B | GLY61 |
| B | LYS63 |
| B | HOH505 |
| site_id | AD3 |
| Number of Residues | 25 |
| Details | binding site for residue NAD C 401 |
| Chain | Residue |
| C | ASN42 |
| C | THR44 |
| C | LEU45 |
| C | TYR49 |
| C | ASP71 |
| C | GLU73 |
| C | LYS76 |
| C | GLY104 |
| C | GLY105 |
| C | VAL106 |
| C | ASP109 |
| C | THR129 |
| C | THR130 |
| C | LEU132 |
| C | ASP136 |
| C | SER137 |
| C | LYS142 |
| C | LYS151 |
| C | ASN152 |
| C | CYS169 |
| C | THR172 |
| C | GLU177 |
| C | 7LH403 |
| C | HOH509 |
| C | HOH517 |
| site_id | AD4 |
| Number of Residues | 5 |
| Details | binding site for residue MG C 402 |
| Chain | Residue |
| C | GLU184 |
| C | HIS248 |
| C | HIS265 |
| C | 7LH403 |
| C | HOH505 |
| site_id | AD5 |
| Number of Residues | 10 |
| Details | binding site for residue 7LH C 403 |
| Chain | Residue |
| C | ASP136 |
| C | LYS142 |
| C | LYS187 |
| C | LYS226 |
| C | ARG241 |
| C | ASN245 |
| C | HIS248 |
| C | THR249 |
| C | NAD401 |
| C | MG402 |
| site_id | AD6 |
| Number of Residues | 25 |
| Details | binding site for residue NAD D 401 |
| Chain | Residue |
| D | ASN42 |
| D | THR44 |
| D | LEU45 |
| D | ASP71 |
| D | GLU73 |
| D | LYS76 |
| D | GLY104 |
| D | GLY105 |
| D | VAL106 |
| D | ASP109 |
| D | THR129 |
| D | THR130 |
| D | LEU132 |
| D | ASP136 |
| D | SER137 |
| D | LYS142 |
| D | ASN152 |
| D | CYS169 |
| D | THR172 |
| D | LEU173 |
| D | PRO174 |
| D | GLU177 |
| D | 7LH403 |
| D | HOH502 |
| D | HOH503 |
| site_id | AD7 |
| Number of Residues | 5 |
| Details | binding site for residue MG D 402 |
| Chain | Residue |
| D | GLU184 |
| D | HIS248 |
| D | HIS265 |
| D | 7LH403 |
| D | HOH501 |
| site_id | AD8 |
| Number of Residues | 15 |
| Details | binding site for residue 7LH D 403 |
| Chain | Residue |
| D | ASP136 |
| D | LYS142 |
| D | ASN152 |
| D | GLU184 |
| D | LYS226 |
| D | ARG241 |
| D | LEU244 |
| D | ASN245 |
| D | HIS248 |
| D | HIS252 |
| D | HIS265 |
| D | NAD401 |
| D | MG402 |
| D | HOH501 |
| D | HOH509 |
