5TDS
Toluene bound in the resting active site of toluene 4-monooxygenase (T4moH)
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 | 0016491 | molecular_function | oxidoreductase activity |
| E | 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 |
| E | 0018638 | molecular_function | toluene 4-monooxygenase activity |
| E | 0042203 | biological_process | toluene catabolic process |
| F | 0004497 | molecular_function | monooxygenase activity |
| F | 0009056 | biological_process | catabolic process |
| F | 0018638 | molecular_function | toluene 4-monooxygenase activity |
| F | 0042203 | biological_process | toluene catabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | binding site for residue FE A 501 |
| Chain | Residue |
| A | GLU104 |
| A | GLU134 |
| A | HIS137 |
| A | FE502 |
| A | HOH640 |
| A | HOH650 |
| A | HOH799 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue FE A 502 |
| Chain | Residue |
| A | GLU231 |
| A | HIS234 |
| A | FE501 |
| A | HOH640 |
| A | HOH799 |
| A | GLU134 |
| A | GLU197 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 503 |
| Chain | Residue |
| A | HOH680 |
| A | HOH772 |
| A | HOH1051 |
| A | HOH1079 |
| F | HOH191 |
| F | HOH219 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue MBN A 504 |
| Chain | Residue |
| A | TYR331 |
| A | GLY334 |
| A | VAL335 |
| A | TRP338 |
| A | PRO403 |
| A | MBN505 |
| C | PHE14 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue MBN A 505 |
| Chain | Residue |
| A | TRP167 |
| A | LEU393 |
| A | PRO394 |
| A | ILE450 |
| A | MET471 |
| A | MBN504 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | binding site for residue MBN A 506 |
| Chain | Residue |
| A | ILE100 |
| A | GLY103 |
| A | GLU104 |
| A | PHE176 |
| A | PHE196 |
| A | HOH645 |
| A | HOH799 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue MBN A 507 |
| Chain | Residue |
| A | PHE196 |
| A | GLN204 |
| A | PHE269 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue MG B 401 |
| Chain | Residue |
| B | HOH612 |
| B | HOH679 |
| F | GLU84 |
| F | HOH103 |
| F | HOH122 |
| F | HOH163 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue MG B 402 |
| Chain | Residue |
| B | HOH536 |
| B | HOH616 |
| B | HOH796 |
| B | HOH816 |
| B | HOH871 |
| B | HOH877 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue MG B 403 |
| Chain | Residue |
| B | HOH644 |
| B | HOH746 |
| B | HOH795 |
| E | HOH581 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue MG B 404 |
| Chain | Residue |
| B | ASP40 |
| B | HOH517 |
| B | HOH517 |
| B | HOH527 |
| B | HOH693 |
| site_id | AD3 |
| Number of Residues | 6 |
| Details | binding site for residue MBN B 405 |
| Chain | Residue |
| A | TRP9 |
| A | PRO56 |
| A | HOH674 |
| B | GLU91 |
| B | GLN95 |
| B | HIS165 |
| site_id | AD4 |
| Number of Residues | 5 |
| Details | binding site for residue MG C 101 |
| Chain | Residue |
| C | HOH228 |
| C | HOH266 |
| C | HOH267 |
| C | HOH273 |
| C | HOH287 |
| site_id | AD5 |
| Number of Residues | 7 |
| Details | binding site for residue FE D 501 |
| Chain | Residue |
| D | GLU104 |
| D | GLU134 |
| D | HIS137 |
| D | FE502 |
| D | HOH623 |
| D | HOH677 |
| D | HOH876 |
| site_id | AD6 |
| Number of Residues | 7 |
| Details | binding site for residue FE D 502 |
| Chain | Residue |
| D | GLU134 |
| D | GLU197 |
| D | GLU231 |
| D | HIS234 |
| D | FE501 |
| D | HOH623 |
| D | HOH876 |
| site_id | AD7 |
| Number of Residues | 5 |
| Details | binding site for residue MG D 503 |
| Chain | Residue |
| C | ASP64 |
| D | ASP386 |
| D | SER389 |
| D | HOH683 |
| D | HOH777 |
| site_id | AD8 |
| Number of Residues | 7 |
| Details | binding site for residue MBN D 504 |
| Chain | Residue |
| D | MBN505 |
| F | PHE14 |
| D | TYR331 |
| D | GLY334 |
| D | VAL335 |
| D | TRP338 |
| D | PRO403 |
| site_id | AD9 |
| Number of Residues | 6 |
| Details | binding site for residue MBN D 505 |
| Chain | Residue |
| D | TRP167 |
| D | LEU393 |
| D | PRO394 |
| D | ILE450 |
| D | MET471 |
| D | MBN504 |
| site_id | AE1 |
| Number of Residues | 4 |
| Details | binding site for residue CL D 506 |
| Chain | Residue |
| D | ARG339 |
| D | LYS481 |
| D | ASP482 |
| D | HOH949 |
| site_id | AE2 |
| Number of Residues | 6 |
| Details | binding site for residue MBN D 507 |
| Chain | Residue |
| D | GLY103 |
| D | GLU104 |
| D | PHE176 |
| D | PHE196 |
| D | HOH644 |
| D | HOH876 |
| site_id | AE3 |
| Number of Residues | 3 |
| Details | binding site for residue MBN D 508 |
| Chain | Residue |
| D | PHE196 |
| D | GLN204 |
| D | PHE269 |
| site_id | AE4 |
| Number of Residues | 6 |
| Details | binding site for residue MG E 401 |
| Chain | Residue |
| E | HOH556 |
| E | HOH600 |
| E | HOH764 |
| E | HOH773 |
| E | HOH801 |
| E | HOH806 |
| site_id | AE5 |
| Number of Residues | 6 |
| Details | binding site for residue MG E 402 |
| Chain | Residue |
| E | HOH539 |
| E | HOH612 |
| E | HOH798 |
| E | HOH842 |
| E | HOH863 |
| E | HOH880 |
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 |
