3LMX
Tyrosine 447 of Protocatechuate 34,-Dioxygenase Controls Efficient Progress Through Catalysis
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 | obsolete cellular aromatic compound metabolic process |
| A | 0008199 | molecular_function | ferric iron binding |
| 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 | obsolete 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 | obsolete cellular aromatic compound metabolic process |
| B | 0008199 | molecular_function | ferric iron binding |
| 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 | obsolete 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 | obsolete cellular aromatic compound metabolic process |
| C | 0008199 | molecular_function | ferric iron binding |
| 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 | obsolete aromatic compound catabolic process |
| C | 0042952 | biological_process | beta-ketoadipate pathway |
| C | 0051213 | molecular_function | dioxygenase activity |
| M | 0003824 | molecular_function | catalytic activity |
| M | 0005506 | molecular_function | iron ion binding |
| M | 0006725 | biological_process | obsolete cellular aromatic compound metabolic process |
| M | 0008199 | molecular_function | ferric iron binding |
| 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 | obsolete 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 | obsolete cellular aromatic compound metabolic process |
| N | 0008199 | molecular_function | ferric iron binding |
| 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 | obsolete 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 | obsolete cellular aromatic compound metabolic process |
| O | 0008199 | molecular_function | ferric iron binding |
| 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 | obsolete 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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL A 201 |
| Chain | Residue |
| A | ILE171 |
| A | ARG184 |
| A | ASP186 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 202 |
| Chain | Residue |
| A | ASN37 |
| A | THR105 |
| A | HIS107 |
| A | HOH271 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 203 |
| Chain | Residue |
| A | LYS180 |
| A | HOH262 |
| A | PRO42 |
| A | HIS48 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME A 204 |
| Chain | Residue |
| A | PRO1 |
| A | GLU3 |
| A | HOH319 |
| N | LYS507 |
| site_id | AC5 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE BME A 205 |
| Chain | Residue |
| A | PRO164 |
| site_id | AC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL A 206 |
| Chain | Residue |
| A | ARG167 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BME A 207 |
| Chain | Residue |
| A | ARG38 |
| A | LEU39 |
| A | LYS41 |
| A | ASN87 |
| A | ASN90 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE BME A 208 |
| Chain | Residue |
| A | CYS175 |
| A | ARG184 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE FE M 600 |
| Chain | Residue |
| M | DHB1 |
| M | TYR408 |
| M | HIS460 |
| M | HIS462 |
| site_id | BC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE DHB M 1 |
| Chain | Residue |
| A | PRO15 |
| M | TYR324 |
| M | TYR408 |
| M | HIS447 |
| M | TRP449 |
| M | ARG457 |
| M | HIS460 |
| M | HIS462 |
| M | FE600 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DHB M 4 |
| Chain | Residue |
| M | HOH116 |
| M | ILE328 |
| N | SO432 |
| O | ARG333 |
| site_id | BC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DHB M 6 |
| Chain | Residue |
| M | LYS318 |
| M | ARG333 |
| M | HOH574 |
| N | SO432 |
| N | ILE328 |
| site_id | BC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL M 539 |
| Chain | Residue |
| M | GLN503 |
| M | ILE505 |
| M | ARG522 |
| M | PHE523 |
| M | ASP524 |
| site_id | BC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL M 10 |
| Chain | Residue |
| M | GLN530 |
| M | ARG531 |
| M | HOH559 |
| site_id | BC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE GOL M 13 |
| Chain | Residue |
| M | ARG383 |
| site_id | BC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 M 15 |
| Chain | Residue |
| M | ARG409 |
| M | PRO421 |
| site_id | BC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE BME M 20 |
| Chain | Residue |
| M | ARG407 |
| M | LEU419 |
| site_id | BC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BME M 21 |
| Chain | Residue |
| M | PHE535 |
| M | GLU536 |
| M | HOH578 |
| site_id | CC1 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL M 27 |
| Chain | Residue |
| M | SER433 |
| site_id | CC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BME M 28 |
| Chain | Residue |
| M | ARG450 |
| M | PRO453 |
| M | PRO515 |
| M | HOH596 |
| O | SER338 |
| site_id | CC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL M 30 |
| Chain | Residue |
| M | ALA358 |
| site_id | CC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BME M 41 |
| Chain | Residue |
| M | HIS361 |
| M | CYS429 |
| M | SER438 |
| site_id | CC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE BME M 45 |
| Chain | Residue |
| M | HOH263 |
| M | ARG307 |
| M | PHE308 |
| M | ILE310 |
| M | HOH562 |
| N | ASN511 |
| N | PRO515 |
| site_id | CC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME M 46 |
| Chain | Residue |
| M | SER338 |
| M | PRO340 |
| N | ARG450 |
| N | PRO453 |
| site_id | CC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BME M 49 |
| Chain | Residue |
| M | ARG383 |
| M | TYR436 |
| M | ASP524 |
| site_id | CC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 201 |
| Chain | Residue |
| B | THR169 |
| B | ILE171 |
| B | ARG184 |
| B | PHE185 |
| B | ASP186 |
| B | HOH337 |
| site_id | CC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 202 |
| Chain | Residue |
| B | ASN37 |
| B | THR105 |
| B | HIS107 |
| site_id | DC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE BME B 203 |
| Chain | Residue |
| B | CYS175 |
| B | ARG184 |
| site_id | DC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE FE N 600 |
| Chain | Residue |
| N | HIS460 |
| N | HIS462 |
| N | DHB2 |
| N | TYR408 |
| site_id | DC3 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE DHB N 2 |
| Chain | Residue |
| B | PRO15 |
| B | ARG133 |
| N | TYR324 |
| N | TYR408 |
| N | HIS447 |
| N | TRP449 |
| N | ARG457 |
| N | HIS460 |
| N | HIS462 |
| N | ILE491 |
| N | HOH586 |
| N | FE600 |
| site_id | DC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DHB N 5 |
| Chain | Residue |
| N | SO432 |
| N | HOH64 |
| N | ARG333 |
| N | HOH583 |
| O | ILE328 |
| O | ARG333 |
| site_id | DC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL N 11 |
| Chain | Residue |
| N | SO416 |
| N | ARG407 |
| N | PRO418 |
| N | LEU419 |
| site_id | DC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL N 12 |
| Chain | Residue |
| N | GLN503 |
| N | LYS507 |
| N | ARG522 |
| N | ASP524 |
| site_id | DC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 N 16 |
| Chain | Residue |
| N | GOL11 |
| N | ARG409 |
| N | PRO421 |
| site_id | DC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL N 24 |
| Chain | Residue |
| B | ASP32 |
| N | ALA358 |
| site_id | DC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 N 32 |
| Chain | Residue |
| M | DHB4 |
| M | DHB6 |
| M | LEU320 |
| M | ARG333 |
| N | DHB5 |
| N | LEU320 |
| O | LEU320 |
| site_id | EC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BME N 33 |
| Chain | Residue |
| N | HOH108 |
| N | PHE535 |
| N | GLU536 |
| site_id | EC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME N 40 |
| Chain | Residue |
| N | HOH160 |
| N | ASN314 |
| N | LYS318 |
| N | ALA496 |
| site_id | EC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL N 42 |
| Chain | Residue |
| N | ASP524 |
| site_id | EC4 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE BME N 47 |
| Chain | Residue |
| N | CYS429 |
| site_id | EC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL N 48 |
| Chain | Residue |
| N | ARG383 |
| N | HOH591 |
| site_id | EC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME N 50 |
| Chain | Residue |
| N | HOH21 |
| N | ILE339 |
| N | PRO340 |
| O | PRO453 |
| site_id | EC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 C 201 |
| Chain | Residue |
| C | ASN37 |
| C | ARG38 |
| C | THR105 |
| C | HIS107 |
| site_id | EC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 C 202 |
| Chain | Residue |
| C | HIS61 |
| C | LEU62 |
| C | ARG64 |
| C | HOH571 |
| site_id | EC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 C 203 |
| Chain | Residue |
| C | THR98 |
| C | PHE99 |
| C | ASP100 |
| site_id | FC1 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 C 204 |
| Chain | Residue |
| C | ARG38 |
| site_id | FC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BME C 206 |
| Chain | Residue |
| C | GLU168 |
| C | ILE171 |
| C | ARG184 |
| C | PHE185 |
| C | ASP186 |
| site_id | FC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE FE O 600 |
| Chain | Residue |
| O | DHB3 |
| O | TYR408 |
| O | HIS460 |
| O | HIS462 |
| site_id | FC4 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE DHB O 3 |
| Chain | Residue |
| C | PRO15 |
| C | ARG133 |
| O | TYR324 |
| O | TYR408 |
| O | HIS447 |
| O | TRP449 |
| O | ARG457 |
| O | HIS460 |
| O | HIS462 |
| O | ILE491 |
| O | FE600 |
| site_id | FC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BME O 5 |
| Chain | Residue |
| O | HIS361 |
| O | CYS429 |
| O | SER438 |
| site_id | FC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 O 14 |
| Chain | Residue |
| O | ARG409 |
| O | PRO421 |
| site_id | FC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE BME O 22 |
| Chain | Residue |
| O | ASP432 |
| O | SER433 |
| site_id | FC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BME O 26 |
| Chain | Residue |
| O | THR533 |
| O | HIS534 |
| O | PHE535 |
| O | GLU536 |
| O | HOH548 |
| site_id | FC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL O 34 |
| Chain | Residue |
| M | MET510 |
| M | ASN511 |
| M | ALA513 |
| O | HOH142 |
| O | PHE308 |
| O | VAL309 |
| O | ILE310 |
| O | ARG531 |
| site_id | GC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME O 37 |
| Chain | Residue |
| B | ILE2 |
| O | ARG522 |
| O | PHE523 |
| O | ASP524 |
| site_id | GC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BME O 38 |
| Chain | Residue |
| N | HOH267 |
| N | PHE308 |
| N | ILE310 |
| O | ASN511 |
| O | ALA513 |
| site_id | GC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME O 39 |
| Chain | Residue |
| O | HOH143 |
| O | LYS493 |
| O | ALA496 |
| O | HOH597 |
Functional Information from PROSITE/UniProt
| site_id | PS00083 |
| Number of Residues | 29 |
| Details | INTRADIOL_DIOXYGENAS Intradiol ring-cleavage dioxygenases signature. VaGrVvdqyGkpVpntlVEMwqanagGrY |
| Chain | Residue | Details |
| M | VAL380-TYR408 | |
| A | LEU51-TYR79 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:7990141 |
| Chain | Residue | Details |
| M | TYR408 | |
| M | HIS447 | |
| M | HIS460 | |
| M | HIS462 | |
| N | TYR408 | |
| N | HIS447 | |
| N | HIS460 | |
| N | HIS462 | |
| O | TYR408 | |
| O | HIS447 | |
| O | HIS460 | |
| O | HIS462 |
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 | HIS462 | 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 | HIS462 | 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 | HIS462 | metal ligand |
