3Q3M
Toluene 4 monooxygenase HD Complex with Inhibitor 4-Bromobenzoate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004497 | molecular_function | monooxygenase activity |
| A | 0009056 | biological_process | catabolic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0018638 | molecular_function | toluene 4-monooxygenase activity |
| A | 0042203 | biological_process | toluene catabolic process |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0004497 | molecular_function | monooxygenase activity |
| B | 0009056 | biological_process | catabolic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016709 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen |
| B | 0018638 | molecular_function | toluene 4-monooxygenase activity |
| B | 0042203 | biological_process | toluene catabolic process |
| C | 0004497 | molecular_function | monooxygenase activity |
| C | 0009056 | biological_process | catabolic process |
| C | 0018638 | molecular_function | toluene 4-monooxygenase activity |
| C | 0042203 | biological_process | toluene catabolic process |
| D | 0004497 | molecular_function | monooxygenase activity |
| D | 0009056 | biological_process | catabolic process |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0018638 | molecular_function | toluene 4-monooxygenase activity |
| D | 0042203 | biological_process | toluene catabolic process |
| D | 0046872 | molecular_function | metal ion binding |
| E | 0004497 | molecular_function | monooxygenase activity |
| E | 0009056 | biological_process | catabolic process |
| E | 0042203 | biological_process | toluene catabolic process |
| F | 0004497 | molecular_function | monooxygenase activity |
| F | 0009056 | biological_process | catabolic process |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0016709 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen |
| F | 0018638 | molecular_function | toluene 4-monooxygenase activity |
| F | 0042203 | biological_process | toluene catabolic process |
| G | 0004497 | molecular_function | monooxygenase activity |
| G | 0009056 | biological_process | catabolic process |
| G | 0018638 | molecular_function | toluene 4-monooxygenase activity |
| G | 0042203 | biological_process | toluene catabolic process |
| H | 0004497 | molecular_function | monooxygenase activity |
| H | 0009056 | biological_process | catabolic process |
| H | 0042203 | biological_process | toluene catabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE FE D 509 |
| Chain | Residue |
| D | GLU104 |
| D | GLU134 |
| D | HIS137 |
| D | FE510 |
| D | Z82511 |
| D | HOH521 |
| D | HOH581 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE FE D 510 |
| Chain | Residue |
| D | GLU231 |
| D | HIS234 |
| D | FE509 |
| D | Z82511 |
| D | HOH521 |
| D | GLU134 |
| D | GLU197 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE FE A 870 |
| Chain | Residue |
| A | GLU104 |
| A | GLU134 |
| A | HIS137 |
| A | FE509 |
| A | Z82510 |
| A | HOH2127 |
| A | HOH2158 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE FE A 509 |
| Chain | Residue |
| A | GLU134 |
| A | GLU197 |
| A | GLU231 |
| A | HIS234 |
| A | Z82510 |
| A | FE870 |
| A | HOH2158 |
| site_id | AC5 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE Z82 E 104 |
| Chain | Residue |
| A | ARG6 |
| A | TYR51 |
| A | LYS52 |
| A | HOH2069 |
| E | MET74 |
| E | GLN75 |
| E | ALA90 |
| E | ASP91 |
| E | GLU92 |
| E | HOH560 |
| E | HOH734 |
| E | HOH767 |
| E | HOH1628 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE Z82 B 328 |
| Chain | Residue |
| B | MET18 |
| B | ARG19 |
| B | LYS20 |
| B | LYS21 |
| B | PRO22 |
| B | HOH1915 |
| H | GLN67 |
| site_id | AC7 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE Z82 H 104 |
| Chain | Residue |
| D | ARG6 |
| D | TYR51 |
| D | LYS52 |
| D | HOH2014 |
| H | MET74 |
| H | GLN75 |
| H | ALA90 |
| H | ASP91 |
| H | GLU92 |
| H | HOH281 |
| H | HOH714 |
| H | HOH753 |
| H | HOH770 |
| site_id | AC8 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE Z82 A 510 |
| Chain | Residue |
| A | ALA99 |
| A | ILE100 |
| A | GLU104 |
| A | GLU134 |
| A | TYR162 |
| A | PHE176 |
| A | LEU192 |
| A | GLU197 |
| A | GLU231 |
| A | FE509 |
| A | FE870 |
| A | HOH2158 |
| site_id | AC9 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE Z82 D 511 |
| Chain | Residue |
| D | ALA99 |
| D | ILE100 |
| D | GLU104 |
| D | GLU134 |
| D | TYR162 |
| D | PHE176 |
| D | ILE180 |
| D | LEU192 |
| D | GLU197 |
| D | GLU231 |
| D | FE509 |
| D | FE510 |
| D | HOH521 |
| D | HOH581 |
| site_id | BC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE Z82 B 329 |
| Chain | Residue |
| B | LYS7 |
| B | LEU221 |
| B | LYS266 |
| B | VAL269 |
| B | HIS279 |
| B | ILE282 |
| B | ILE286 |
| B | HOH2003 |
| B | HOH2058 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE Z82 F 328 |
| Chain | Residue |
| F | HOH1350 |
| F | HOH2054 |
| F | HIS279 |
| F | ILE282 |
| F | ILE286 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:19033467, ECO:0000269|PubMed:19290655, ECO:0000269|PubMed:19705873, ECO:0000269|PubMed:22264099, ECO:0000269|PubMed:25248368, ECO:0000269|PubMed:28346937, ECO:0007744|PDB:3Q14, ECO:0007744|PDB:3Q2A, ECO:0007744|PDB:3Q3M, ECO:0007744|PDB:3Q3N, ECO:0007744|PDB:3Q3O, ECO:0007744|PDB:3RI7, ECO:0007744|PDB:3RMK, ECO:0007744|PDB:4P1B, ECO:0007744|PDB:4P1C, ECO:0007744|PDB:5TDS, ECO:0007744|PDB:5TDT, ECO:0007744|PDB:5TDU, ECO:0007744|PDB:5TDV |
| Chain | Residue | Details |
| A | GLU104 | |
| D | GLU197 | |
| D | GLU231 | |
| D | HIS234 | |
| A | GLU134 | |
| A | HIS137 | |
| A | GLU197 | |
| A | GLU231 | |
| A | HIS234 | |
| D | GLU104 | |
| D | GLU134 | |
| D | HIS137 |
