3MI5
Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0006725 | biological_process | cellular aromatic compound metabolic process |
| A | 0008199 | molecular_function | ferric iron binding |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| A | 0018578 | molecular_function | protocatechuate 3,4-dioxygenase activity |
| A | 0019439 | biological_process | aromatic compound catabolic process |
| A | 0042952 | biological_process | beta-ketoadipate pathway |
| A | 0051213 | molecular_function | dioxygenase activity |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0005506 | molecular_function | iron ion binding |
| B | 0006725 | biological_process | cellular aromatic compound metabolic process |
| B | 0008199 | molecular_function | ferric iron binding |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| B | 0018578 | molecular_function | protocatechuate 3,4-dioxygenase activity |
| B | 0019439 | biological_process | aromatic compound catabolic process |
| B | 0042952 | biological_process | beta-ketoadipate pathway |
| B | 0051213 | molecular_function | dioxygenase activity |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0005506 | molecular_function | iron ion binding |
| C | 0006725 | biological_process | cellular aromatic compound metabolic process |
| C | 0008199 | molecular_function | ferric iron binding |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| C | 0018578 | molecular_function | protocatechuate 3,4-dioxygenase activity |
| C | 0019439 | biological_process | aromatic compound catabolic process |
| C | 0042952 | biological_process | beta-ketoadipate pathway |
| C | 0051213 | molecular_function | dioxygenase activity |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0005506 | molecular_function | iron ion binding |
| D | 0006725 | biological_process | cellular aromatic compound metabolic process |
| D | 0008199 | molecular_function | ferric iron binding |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| D | 0018578 | molecular_function | protocatechuate 3,4-dioxygenase activity |
| D | 0019439 | biological_process | aromatic compound catabolic process |
| D | 0042952 | biological_process | beta-ketoadipate pathway |
| D | 0051213 | molecular_function | dioxygenase activity |
| E | 0003824 | molecular_function | catalytic activity |
| E | 0005506 | molecular_function | iron ion binding |
| E | 0006725 | biological_process | cellular aromatic compound metabolic process |
| E | 0008199 | molecular_function | ferric iron binding |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| E | 0018578 | molecular_function | protocatechuate 3,4-dioxygenase activity |
| E | 0019439 | biological_process | aromatic compound catabolic process |
| E | 0042952 | biological_process | beta-ketoadipate pathway |
| E | 0051213 | molecular_function | dioxygenase activity |
| F | 0003824 | molecular_function | catalytic activity |
| F | 0005506 | molecular_function | iron ion binding |
| F | 0006725 | biological_process | cellular aromatic compound metabolic process |
| F | 0008199 | molecular_function | ferric iron binding |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| F | 0018578 | molecular_function | protocatechuate 3,4-dioxygenase activity |
| F | 0019439 | biological_process | aromatic compound catabolic process |
| F | 0042952 | biological_process | beta-ketoadipate pathway |
| F | 0051213 | molecular_function | dioxygenase activity |
| M | 0003824 | molecular_function | catalytic activity |
| M | 0005506 | molecular_function | iron ion binding |
| M | 0006725 | biological_process | cellular aromatic compound metabolic process |
| M | 0008199 | molecular_function | ferric iron binding |
| M | 0016491 | molecular_function | oxidoreductase activity |
| M | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| M | 0018578 | molecular_function | protocatechuate 3,4-dioxygenase activity |
| M | 0019439 | biological_process | aromatic compound catabolic process |
| M | 0019619 | biological_process | 3,4-dihydroxybenzoate catabolic process |
| M | 0042952 | biological_process | beta-ketoadipate pathway |
| M | 0046872 | molecular_function | metal ion binding |
| M | 0051213 | molecular_function | dioxygenase activity |
| N | 0003824 | molecular_function | catalytic activity |
| N | 0005506 | molecular_function | iron ion binding |
| N | 0006725 | biological_process | cellular aromatic compound metabolic process |
| N | 0008199 | molecular_function | ferric iron binding |
| N | 0016491 | molecular_function | oxidoreductase activity |
| N | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| N | 0018578 | molecular_function | protocatechuate 3,4-dioxygenase activity |
| N | 0019439 | biological_process | aromatic compound catabolic process |
| N | 0019619 | biological_process | 3,4-dihydroxybenzoate catabolic process |
| N | 0042952 | biological_process | beta-ketoadipate pathway |
| N | 0046872 | molecular_function | metal ion binding |
| N | 0051213 | molecular_function | dioxygenase activity |
| O | 0003824 | molecular_function | catalytic activity |
| O | 0005506 | molecular_function | iron ion binding |
| O | 0006725 | biological_process | cellular aromatic compound metabolic process |
| O | 0008199 | molecular_function | ferric iron binding |
| O | 0016491 | molecular_function | oxidoreductase activity |
| O | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| O | 0018578 | molecular_function | protocatechuate 3,4-dioxygenase activity |
| O | 0019439 | biological_process | aromatic compound catabolic process |
| O | 0019619 | biological_process | 3,4-dihydroxybenzoate catabolic process |
| O | 0042952 | biological_process | beta-ketoadipate pathway |
| O | 0046872 | molecular_function | metal ion binding |
| O | 0051213 | molecular_function | dioxygenase activity |
| P | 0003824 | molecular_function | catalytic activity |
| P | 0005506 | molecular_function | iron ion binding |
| P | 0006725 | biological_process | cellular aromatic compound metabolic process |
| P | 0008199 | molecular_function | ferric iron binding |
| P | 0016491 | molecular_function | oxidoreductase activity |
| P | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| P | 0018578 | molecular_function | protocatechuate 3,4-dioxygenase activity |
| P | 0019439 | biological_process | aromatic compound catabolic process |
| P | 0019619 | biological_process | 3,4-dihydroxybenzoate catabolic process |
| P | 0042952 | biological_process | beta-ketoadipate pathway |
| P | 0046872 | molecular_function | metal ion binding |
| P | 0051213 | molecular_function | dioxygenase activity |
| Q | 0003824 | molecular_function | catalytic activity |
| Q | 0005506 | molecular_function | iron ion binding |
| Q | 0006725 | biological_process | cellular aromatic compound metabolic process |
| Q | 0008199 | molecular_function | ferric iron binding |
| Q | 0016491 | molecular_function | oxidoreductase activity |
| Q | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| Q | 0018578 | molecular_function | protocatechuate 3,4-dioxygenase activity |
| Q | 0019439 | biological_process | aromatic compound catabolic process |
| Q | 0019619 | biological_process | 3,4-dihydroxybenzoate catabolic process |
| Q | 0042952 | biological_process | beta-ketoadipate pathway |
| Q | 0046872 | molecular_function | metal ion binding |
| Q | 0051213 | molecular_function | dioxygenase activity |
| R | 0003824 | molecular_function | catalytic activity |
| R | 0005506 | molecular_function | iron ion binding |
| R | 0006725 | biological_process | cellular aromatic compound metabolic process |
| R | 0008199 | molecular_function | ferric iron binding |
| R | 0016491 | molecular_function | oxidoreductase activity |
| R | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| R | 0018578 | molecular_function | protocatechuate 3,4-dioxygenase activity |
| R | 0019439 | biological_process | aromatic compound catabolic process |
| R | 0019619 | biological_process | 3,4-dihydroxybenzoate catabolic process |
| R | 0042952 | biological_process | beta-ketoadipate pathway |
| R | 0046872 | molecular_function | metal ion binding |
| R | 0051213 | molecular_function | dioxygenase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 201 |
| Chain | Residue |
| A | ASN37 |
| A | THR105 |
| A | HIS107 |
| A | GOL204 |
| A | HOH1194 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME A 202 |
| Chain | Residue |
| A | THR98 |
| A | PHE99 |
| A | ASP100 |
| A | HOH2124 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 203 |
| Chain | Residue |
| A | THR169 |
| A | ILE171 |
| A | ARG184 |
| A | PHE185 |
| A | ASP186 |
| A | ARG188 |
| A | HOH2061 |
| A | HOH2062 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 204 |
| Chain | Residue |
| A | TRP36 |
| A | ASN37 |
| A | THR95 |
| A | ALA96 |
| A | TRP104 |
| A | THR105 |
| A | SO4201 |
| A | HOH1768 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 205 |
| Chain | Residue |
| A | ARG38 |
| A | LEU39 |
| A | LYS41 |
| A | ASN84 |
| A | LEU85 |
| A | ASN87 |
| A | ASN90 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 206 |
| Chain | Residue |
| A | LEU23 |
| A | ASN28 |
| A | PRO29 |
| A | HOH222 |
| M | ASN366 |
| M | PHE367 |
| M | GLY424 |
| M | VAL426 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CAQ A 207 |
| Chain | Residue |
| A | ASN152 |
| A | PRO164 |
| A | ARG167 |
| A | HOH1266 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 208 |
| Chain | Residue |
| A | LEU21 |
| A | ALA22 |
| A | LEU23 |
| A | GLU24 |
| A | THR30 |
| A | GLU34 |
| A | TRP36 |
| A | HOH1136 |
| A | HOH1674 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE M 600 |
| Chain | Residue |
| M | TYR408 |
| M | HIS447 |
| M | HIS460 |
| M | TYR462 |
| M | CAQ539 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL M 12 |
| Chain | Residue |
| M | GLN503 |
| M | ILE505 |
| M | ARG522 |
| M | PHE523 |
| M | ASP524 |
| site_id | BC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL M 16 |
| Chain | Residue |
| M | ARG407 |
| M | LEU419 |
| site_id | BC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE BME M 28 |
| Chain | Residue |
| M | ARG409 |
| M | PRO421 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BME M 30 |
| Chain | Residue |
| M | PRO515 |
| O | ARG307 |
| O | GLN341 |
| site_id | BC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL M 10 |
| Chain | Residue |
| M | ARG333 |
| M | HOH1220 |
| N | PRO322 |
| N | ILE328 |
| site_id | BC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL M 14 |
| Chain | Residue |
| M | ARG450 |
| M | PRO453 |
| M | HOH2057 |
| M | HOH2254 |
| O | SER338 |
| O | PRO340 |
| site_id | BC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE BME M 1 |
| Chain | Residue |
| A | TYR16 |
| M | ASP413 |
| M | HIS447 |
| M | PRO448 |
| M | TRP449 |
| M | ARG450 |
| M | MET516 |
| M | CAQ539 |
| M | HOH2287 |
| M | HOH2303 |
| site_id | BC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL M 2 |
| Chain | Residue |
| M | ASP432 |
| M | SER433 |
| site_id | BC9 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE CAQ M 539 |
| Chain | Residue |
| M | HIS460 |
| M | TYR462 |
| M | FE600 |
| M | HOH861 |
| M | HOH2030 |
| M | HOH2117 |
| A | PRO15 |
| A | TYR16 |
| M | BME1 |
| M | TYR408 |
| M | HIS447 |
| M | TRP449 |
| M | ARG457 |
| site_id | CC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME M 540 |
| Chain | Residue |
| M | PHE356 |
| M | CYS429 |
| M | LEU430 |
| M | HOH917 |
| site_id | CC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 201 |
| Chain | Residue |
| B | ASN37 |
| B | THR105 |
| B | HIS107 |
| B | HOH2181 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BME B 202 |
| Chain | Residue |
| B | THR98 |
| B | PHE99 |
| B | ASP100 |
| B | HOH2116 |
| B | HOH2193 |
| site_id | CC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL B 203 |
| Chain | Residue |
| B | LEU23 |
| B | ASN28 |
| B | PRO29 |
| B | HOH949 |
| N | ASN366 |
| N | PHE367 |
| N | GLY424 |
| N | VAL426 |
| N | HOH873 |
| site_id | CC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE BME B 204 |
| Chain | Residue |
| B | GLY60 |
| B | ARG188 |
| site_id | CC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 205 |
| Chain | Residue |
| B | THR169 |
| B | ILE171 |
| B | ARG184 |
| B | PHE185 |
| B | ASP186 |
| B | ARG188 |
| B | HOH2083 |
| B | HOH2084 |
| site_id | CC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CAQ B 206 |
| Chain | Residue |
| B | ARG167 |
| B | HOH1873 |
| site_id | CC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 207 |
| Chain | Residue |
| B | ARG38 |
| B | LEU39 |
| B | ASN84 |
| B | LEU85 |
| B | ASN87 |
| B | ASN90 |
| site_id | CC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE N 600 |
| Chain | Residue |
| N | CAQ3 |
| N | TYR408 |
| N | HIS447 |
| N | HIS460 |
| N | TYR462 |
| site_id | DC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 N 11 |
| Chain | Residue |
| N | ARG409 |
| N | LEU419 |
| N | PRO421 |
| N | HOH830 |
| site_id | DC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME N 18 |
| Chain | Residue |
| N | ARG307 |
| N | GLN341 |
| N | ARG531 |
| R | PRO515 |
| site_id | DC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL N 26 |
| Chain | Residue |
| N | ARG333 |
| N | HOH1079 |
| O | ILE328 |
| site_id | DC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BME N 8 |
| Chain | Residue |
| M | SER338 |
| M | PRO340 |
| N | ARG450 |
| N | HOH1404 |
| Q | MET516 |
| site_id | DC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL N 1 |
| Chain | Residue |
| N | GLN503 |
| N | ILE505 |
| N | LYS507 |
| N | ARG522 |
| N | PHE523 |
| N | ASP524 |
| site_id | DC6 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE CAQ N 3 |
| Chain | Residue |
| B | PRO15 |
| B | TYR16 |
| B | HOH2031 |
| N | TYR408 |
| N | HIS447 |
| N | TRP449 |
| N | ARG457 |
| N | HIS460 |
| N | TYR462 |
| N | HOH563 |
| N | FE600 |
| site_id | DC7 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL N 539 |
| Chain | Residue |
| N | ARG450 |
| site_id | DC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 C 201 |
| Chain | Residue |
| C | ASN37 |
| C | ARG38 |
| C | THR105 |
| C | HIS107 |
| C | GOL203 |
| site_id | DC9 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL C 202 |
| Chain | Residue |
| C | ARG38 |
| C | LEU39 |
| C | ALA40 |
| C | LYS41 |
| C | ASN84 |
| C | LEU85 |
| C | ASN87 |
| C | ALA88 |
| C | PHE89 |
| C | ASN90 |
| site_id | EC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL C 203 |
| Chain | Residue |
| C | TRP36 |
| C | THR95 |
| C | ALA96 |
| C | TRP104 |
| C | THR105 |
| C | SO4201 |
| C | HOH2056 |
| site_id | EC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL C 204 |
| Chain | Residue |
| C | GLU168 |
| C | THR169 |
| C | ILE171 |
| C | ARG184 |
| C | PHE185 |
| C | ASP186 |
| C | ARG188 |
| site_id | EC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME C 205 |
| Chain | Residue |
| C | THR98 |
| C | PHE99 |
| C | ASP100 |
| C | HOH2129 |
| site_id | EC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CAQ C 206 |
| Chain | Residue |
| C | PRO164 |
| C | ARG167 |
| C | GLU168 |
| C | HOH923 |
| site_id | EC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL C 207 |
| Chain | Residue |
| C | LEU21 |
| C | ALA22 |
| C | LEU23 |
| C | GLU24 |
| C | GLU34 |
| C | TRP36 |
| C | HOH1634 |
| C | HOH1974 |
| site_id | EC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE O 600 |
| Chain | Residue |
| O | CAQ4 |
| O | TYR408 |
| O | HIS447 |
| O | HIS460 |
| O | TYR462 |
| site_id | EC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 O 12 |
| Chain | Residue |
| O | ARG450 |
| O | CL541 |
| O | HOH1779 |
| O | HOH2187 |
| site_id | EC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL O 17 |
| Chain | Residue |
| D | GLU176 |
| O | PHE356 |
| O | CYS429 |
| O | LEU430 |
| O | HOH1397 |
| O | HOH2176 |
| site_id | EC9 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL O 29 |
| Chain | Residue |
| C | LEU23 |
| C | ASN28 |
| C | PRO29 |
| O | HOH148 |
| O | ASN366 |
| O | PHE367 |
| O | ARG409 |
| O | GLY424 |
| O | VAL426 |
| O | HOH557 |
| site_id | FC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME O 9 |
| Chain | Residue |
| N | SER338 |
| N | PRO340 |
| O | ARG450 |
| R | MET516 |
| site_id | FC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL O 1 |
| Chain | Residue |
| O | GLN503 |
| O | ILE505 |
| O | LYS507 |
| O | ARG522 |
| O | PHE523 |
| O | ASP524 |
| site_id | FC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL O 539 |
| Chain | Residue |
| M | ILE328 |
| O | ARG333 |
| O | HOH1292 |
| site_id | FC4 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE CAQ O 4 |
| Chain | Residue |
| C | PRO15 |
| C | TYR16 |
| O | TYR408 |
| O | HIS447 |
| O | TRP449 |
| O | ARG457 |
| O | HIS460 |
| O | TYR462 |
| O | FE600 |
| O | HOH698 |
| O | HOH2032 |
| O | HOH2091 |
| site_id | FC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BME O 540 |
| Chain | Residue |
| O | THR321 |
| O | PRO322 |
| O | ASP323 |
| O | LYS493 |
| O | HOH553 |
| site_id | FC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL O 541 |
| Chain | Residue |
| O | SO412 |
| O | TRP449 |
| O | ARG450 |
| site_id | FC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE BME O 542 |
| Chain | Residue |
| O | ARG383 |
| O | PRO391 |
| site_id | FC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 D 201 |
| Chain | Residue |
| D | ASN37 |
| D | THR105 |
| D | HIS107 |
| D | BME207 |
| D | HOH1068 |
| site_id | FC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BME D 202 |
| Chain | Residue |
| D | THR98 |
| D | PHE99 |
| D | ASP100 |
| D | HOH2036 |
| D | HOH2122 |
| site_id | GC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL D 203 |
| Chain | Residue |
| D | ARG38 |
| D | LEU39 |
| D | LYS41 |
| D | ASN84 |
| D | LEU85 |
| D | ASN87 |
| D | ASN90 |
| D | HOH1227 |
| site_id | GC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL D 204 |
| Chain | Residue |
| D | THR169 |
| D | ILE171 |
| D | ARG184 |
| D | PHE185 |
| D | ASP186 |
| D | ARG188 |
| D | HOH1590 |
| D | HOH2114 |
| site_id | GC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL D 205 |
| Chain | Residue |
| C | GLN33 |
| C | ASN84 |
| C | HOH865 |
| D | ARG174 |
| O | HIS353 |
| O | GLY355 |
| site_id | GC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL D 206 |
| Chain | Residue |
| D | LEU23 |
| D | ASN28 |
| D | PRO29 |
| D | HOH222 |
| D | HOH257 |
| P | ASN366 |
| P | PHE367 |
| P | GLY424 |
| P | VAL426 |
| site_id | GC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE BME D 207 |
| Chain | Residue |
| D | TRP36 |
| D | ASN37 |
| D | THR95 |
| D | ALA96 |
| D | TRP104 |
| D | THR105 |
| D | SO4201 |
| D | HOH1448 |
| D | HOH1498 |
| site_id | GC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CAQ D 208 |
| Chain | Residue |
| D | ASN152 |
| D | PRO164 |
| D | ARG167 |
| D | HOH1190 |
| site_id | GC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE P 600 |
| Chain | Residue |
| P | TYR408 |
| P | HIS447 |
| P | HIS460 |
| P | TYR462 |
| P | CAQ542 |
| site_id | GC8 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE BME P 5 |
| Chain | Residue |
| P | ALA358 |
| site_id | GC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL P 17 |
| Chain | Residue |
| P | ARG450 |
| P | PRO453 |
| P | PRO515 |
| P | MET516 |
| P | HOH2077 |
| R | SER338 |
| R | ILE339 |
| R | PRO340 |
| site_id | HC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL P 1 |
| Chain | Residue |
| P | GLN503 |
| P | ILE505 |
| P | ARG522 |
| P | PHE523 |
| P | ASP524 |
| P | HOH2169 |
| site_id | HC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE BME P 539 |
| Chain | Residue |
| D | TYR16 |
| P | SO42 |
| P | ASP413 |
| P | ARG414 |
| P | HIS447 |
| P | PRO448 |
| P | TRP449 |
| P | ARG450 |
| site_id | HC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL P 540 |
| Chain | Residue |
| P | PHE356 |
| P | CYS429 |
| P | LEU430 |
| P | HOH1172 |
| site_id | HC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BME P 541 |
| Chain | Residue |
| P | HIS534 |
| P | PHE535 |
| P | GLU536 |
| site_id | HC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 P 2 |
| Chain | Residue |
| P | ARG450 |
| P | BME539 |
| site_id | HC6 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE CAQ P 542 |
| Chain | Residue |
| D | PRO15 |
| D | TYR16 |
| P | TYR408 |
| P | HIS447 |
| P | TRP449 |
| P | ARG457 |
| P | HIS460 |
| P | TYR462 |
| P | FE600 |
| P | HOH815 |
| P | HOH2033 |
| P | HOH2094 |
| site_id | HC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE BME P 543 |
| Chain | Residue |
| P | ARG333 |
| P | HOH1001 |
| site_id | HC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 E 201 |
| Chain | Residue |
| E | ASN37 |
| E | THR105 |
| E | HIS107 |
| E | BME208 |
| E | HOH2299 |
| site_id | HC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL E 202 |
| Chain | Residue |
| E | GLU168 |
| E | THR169 |
| E | ILE171 |
| E | ARG184 |
| E | ASP186 |
| E | ARG188 |
| E | HOH1822 |
| E | HOH2148 |
| site_id | IC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL E 203 |
| Chain | Residue |
| E | TYR56 |
| E | GLY60 |
| E | ARG188 |
| E | HOH2177 |
| site_id | IC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME E 204 |
| Chain | Residue |
| E | ALA25 |
| E | PHE99 |
| E | ASP100 |
| Q | LYS411 |
| site_id | IC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL E 205 |
| Chain | Residue |
| E | ARG38 |
| E | LEU39 |
| E | ALA40 |
| E | LYS41 |
| E | ASN84 |
| E | LEU85 |
| E | ASN87 |
| E | ASN90 |
| site_id | IC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL E 206 |
| Chain | Residue |
| E | LEU23 |
| E | ASN28 |
| E | PRO29 |
| E | HOH1218 |
| Q | ASN366 |
| Q | PHE367 |
| Q | GLY424 |
| Q | VAL426 |
| Q | HOH821 |
| site_id | IC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CAQ E 207 |
| Chain | Residue |
| E | PRO164 |
| E | ARG167 |
| E | HOH1521 |
| site_id | IC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE BME E 208 |
| Chain | Residue |
| E | TRP36 |
| E | ASN37 |
| E | THR95 |
| E | ALA96 |
| E | GLU103 |
| E | TRP104 |
| E | THR105 |
| E | SO4201 |
| E | HOH1562 |
| site_id | IC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE Q 600 |
| Chain | Residue |
| Q | CAQ6 |
| Q | TYR408 |
| Q | HIS447 |
| Q | HIS460 |
| Q | TYR462 |
| site_id | IC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 Q 10 |
| Chain | Residue |
| Q | ARG409 |
| Q | LEU419 |
| Q | PRO421 |
| Q | HOH691 |
| Q | HOH1756 |
| site_id | IC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL Q 15 |
| Chain | Residue |
| O | ASN514 |
| O | PRO515 |
| Q | ARG307 |
| Q | GLN341 |
| Q | ARG531 |
| Q | GLU536 |
| Q | HOH1457 |
| Q | HOH1529 |
| site_id | JC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL Q 1 |
| Chain | Residue |
| Q | GLN503 |
| Q | ILE505 |
| Q | ARG522 |
| Q | PHE523 |
| Q | ASP524 |
| site_id | JC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 Q 539 |
| Chain | Residue |
| M | LYS390 |
| Q | ARG383 |
| Q | ASP434 |
| site_id | JC3 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE CAQ Q 6 |
| Chain | Residue |
| E | PRO15 |
| E | TYR16 |
| Q | TYR408 |
| Q | HIS447 |
| Q | TRP449 |
| Q | ARG457 |
| Q | HIS460 |
| Q | TYR462 |
| Q | FE600 |
| Q | HOH618 |
| Q | HOH2045 |
| site_id | JC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL Q 540 |
| Chain | Residue |
| P | SER338 |
| P | PRO340 |
| Q | ARG450 |
| site_id | JC5 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL Q 541 |
| Chain | Residue |
| Q | ARG450 |
| site_id | JC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 F 201 |
| Chain | Residue |
| F | ASN37 |
| F | ARG38 |
| F | THR105 |
| F | HIS107 |
| F | GOL203 |
| F | HOH1200 |
| site_id | JC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL F 202 |
| Chain | Residue |
| F | GLU168 |
| F | ILE171 |
| F | ARG184 |
| F | PHE185 |
| F | ASP186 |
| site_id | JC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL F 203 |
| Chain | Residue |
| F | ASN37 |
| F | THR95 |
| F | ALA96 |
| F | TRP104 |
| F | THR105 |
| F | SO4201 |
| F | BME207 |
| F | HOH2064 |
| F | HOH2070 |
| site_id | JC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL F 204 |
| Chain | Residue |
| F | ARG38 |
| F | LEU39 |
| F | ALA40 |
| F | LYS41 |
| F | ASN84 |
| F | LEU85 |
| F | ASN87 |
| F | ASN90 |
| site_id | KC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BME F 205 |
| Chain | Residue |
| F | PRO29 |
| R | ASN366 |
| R | PHE367 |
| site_id | KC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CAQ F 206 |
| Chain | Residue |
| F | PRO164 |
| F | ARG167 |
| F | HOH1181 |
| site_id | KC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE BME F 207 |
| Chain | Residue |
| F | THR98 |
| F | PHE99 |
| F | ASP100 |
| F | GOL203 |
| F | HOH1149 |
| F | HOH2074 |
| site_id | KC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE R 600 |
| Chain | Residue |
| R | CAQ1 |
| R | TYR408 |
| R | HIS447 |
| R | HIS460 |
| R | TYR462 |
| site_id | KC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL R 15 |
| Chain | Residue |
| R | GLN503 |
| R | ILE505 |
| R | LYS507 |
| R | ARG522 |
| R | PHE523 |
| R | ASP524 |
| site_id | KC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BME R 21 |
| Chain | Residue |
| R | ASN305 |
| R | GLN530 |
| R | LYS532 |
| site_id | KC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL R 23 |
| Chain | Residue |
| P | ILE328 |
| R | ARG333 |
| R | HOH1543 |
| site_id | KC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL R 13 |
| Chain | Residue |
| P | PRO515 |
| R | ARG307 |
| R | PRO340 |
| R | GLN341 |
| R | ARG531 |
| R | GLU536 |
| R | HOH549 |
| R | HOH1528 |
| site_id | KC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 R 3 |
| Chain | Residue |
| R | ARG409 |
| R | LEU419 |
| R | PRO421 |
| R | HOH1680 |
| site_id | LC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE CAQ R 1 |
| Chain | Residue |
| F | PRO15 |
| F | TYR16 |
| R | TYR408 |
| R | HIS447 |
| R | TRP449 |
| R | ARG457 |
| R | HIS460 |
| R | TYR462 |
| R | FE600 |
| R | HOH750 |
| R | HOH2037 |
| site_id | LC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE BME R 540 |
| Chain | Residue |
| R | ARG383 |
Functional Information from PROSITE/UniProt
| site_id | PS00083 |
| Number of Residues | 29 |
| Details | INTRADIOL_DIOXYGENAS Intradiol ring-cleavage dioxygenases signature. LlGqVydgnGhlVrdsfLEVwqadanGeY |
| Chain | Residue | Details |
| A | LEU51-TYR79 | |
| M | VAL380-TYR408 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 24 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:7990141 |
| Chain | Residue | Details |
| M | TYR408 | |
| M | HIS447 | |
| M | HIS460 | |
| M | TYR462 | |
| N | TYR408 | |
| N | HIS447 | |
| N | HIS460 | |
| N | TYR462 | |
| O | TYR408 | |
| O | HIS447 | |
| O | HIS460 | |
| O | TYR462 | |
| P | TYR408 | |
| P | HIS447 | |
| P | HIS460 | |
| P | TYR462 | |
| Q | TYR408 | |
| Q | HIS447 | |
| Q | HIS460 | |
| Q | TYR462 | |
| R | TYR408 | |
| R | HIS447 | |
| R | HIS460 | |
| R | TYR462 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 5 |
| Details | M-CSA 936 |
| Chain | Residue | Details |
| M | TYR408 | metal ligand |
| M | HIS447 | metal ligand, proton shuttle (general acid/base) |
| M | ARG457 | electrostatic stabiliser |
| M | HIS460 | metal ligand |
| M | TYR462 | metal ligand |
| site_id | MCSA2 |
| Number of Residues | 5 |
| Details | M-CSA 936 |
| Chain | Residue | Details |
| N | TYR408 | metal ligand |
| N | HIS447 | metal ligand, proton shuttle (general acid/base) |
| N | ARG457 | electrostatic stabiliser |
| N | HIS460 | metal ligand |
| N | TYR462 | metal ligand |
| site_id | MCSA3 |
| Number of Residues | 5 |
| Details | M-CSA 936 |
| Chain | Residue | Details |
| O | TYR408 | metal ligand |
| O | HIS447 | metal ligand, proton shuttle (general acid/base) |
| O | ARG457 | electrostatic stabiliser |
| O | HIS460 | metal ligand |
| O | TYR462 | metal ligand |
| site_id | MCSA4 |
| Number of Residues | 5 |
| Details | M-CSA 936 |
| Chain | Residue | Details |
| P | TYR408 | metal ligand |
| P | HIS447 | metal ligand, proton shuttle (general acid/base) |
| P | ARG457 | electrostatic stabiliser |
| P | HIS460 | metal ligand |
| P | TYR462 | metal ligand |
| site_id | MCSA5 |
| Number of Residues | 5 |
| Details | M-CSA 936 |
| Chain | Residue | Details |
| Q | TYR408 | metal ligand |
| Q | HIS447 | metal ligand, proton shuttle (general acid/base) |
| Q | ARG457 | electrostatic stabiliser |
| Q | HIS460 | metal ligand |
| Q | TYR462 | metal ligand |
| site_id | MCSA6 |
| Number of Residues | 5 |
| Details | M-CSA 936 |
| Chain | Residue | Details |
| R | TYR408 | metal ligand |
| R | HIS447 | metal ligand, proton shuttle (general acid/base) |
| R | ARG457 | electrostatic stabiliser |
| R | HIS460 | metal ligand |
| R | TYR462 | metal ligand |
