3LXV
Tyrosine 447 of Protocatechuate 3,4-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 | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 201 |
| Chain | Residue |
| A | ASN37 |
| A | ARG38 |
| A | THR105 |
| A | HIS107 |
| A | HOH886 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 202 |
| Chain | Residue |
| A | LEU85 |
| A | ASN87 |
| A | ALA88 |
| A | ASN90 |
| A | ARG38 |
| A | LEU39 |
| A | ALA40 |
| A | LYS41 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BME A 203 |
| Chain | Residue |
| A | PRO42 |
| A | HIS48 |
| A | LYS180 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BME A 204 |
| Chain | Residue |
| A | LEU23 |
| A | ASN28 |
| A | PRO29 |
| A | HOH705 |
| M | VAL426 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE TRS A 205 |
| Chain | Residue |
| A | THR169 |
| A | ILE171 |
| A | ARG184 |
| A | PHE185 |
| A | ASP186 |
| A | ARG188 |
| A | HOH850 |
| A | HOH851 |
| A | HOH1000 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CO3 A 206 |
| Chain | Residue |
| A | TYR56 |
| A | GLY60 |
| A | ARG188 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE M 600 |
| Chain | Residue |
| M | 4NC1 |
| M | TYR408 |
| M | HIS460 |
| M | HIS462 |
| M | HOH948 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL M 5 |
| Chain | Residue |
| M | GLN503 |
| M | ILE505 |
| M | ARG522 |
| M | PHE523 |
| M | ASP524 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL N 6 |
| Chain | Residue |
| N | GLN503 |
| N | ILE505 |
| N | ARG522 |
| N | PHE523 |
| N | ASP524 |
| site_id | BC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL M 7 |
| Chain | Residue |
| M | HOH117 |
| M | ARG307 |
| M | PHE308 |
| M | HOH788 |
| M | HOH815 |
| O | MET510 |
| O | ASN511 |
| O | ALA513 |
| O | PRO515 |
| O | HOH895 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BME M 15 |
| Chain | Residue |
| M | PHE356 |
| M | CYS429 |
| M | LEU430 |
| M | HOH818 |
| M | HOH884 |
| site_id | BC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL N 9 |
| Chain | Residue |
| M | ILE328 |
| N | ARG333 |
| N | HOH1033 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BME M 16 |
| Chain | Residue |
| M | ASP432 |
| M | SER433 |
| M | HOH891 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL N 10 |
| Chain | Residue |
| N | ILE486 |
| N | VAL501 |
| N | GLN502 |
| N | ILE505 |
| N | HOH1035 |
| N | HOH1057 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BME M 18 |
| Chain | Residue |
| M | ARG450 |
| M | PRO453 |
| M | PRO515 |
| M | HOH772 |
| N | SER338 |
| site_id | BC7 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CO3 M 29 |
| Chain | Residue |
| M | ARG383 |
| site_id | BC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BME N 12 |
| Chain | Residue |
| N | HIS534 |
| N | PHE535 |
| N | HOH883 |
| site_id | BC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CO3 M 33 |
| Chain | Residue |
| M | PHE535 |
| M | HOH1031 |
| O | HOH1048 |
| site_id | CC1 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE 4NC M 1 |
| Chain | Residue |
| M | HOH964 |
| M | HOH1010 |
| A | PRO15 |
| A | ARG133 |
| M | TYR324 |
| M | TYR408 |
| M | HIS447 |
| M | TRP449 |
| M | ARG457 |
| M | HIS460 |
| M | HIS462 |
| M | ILE491 |
| M | FE600 |
| M | HOH948 |
| site_id | CC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 201 |
| Chain | Residue |
| B | ASN37 |
| B | ARG38 |
| B | THR105 |
| B | HIS107 |
| B | HOH457 |
| site_id | CC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME B 202 |
| Chain | Residue |
| B | ASN152 |
| B | PRO164 |
| B | ARG167 |
| B | HOH539 |
| site_id | CC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE TRS B 203 |
| Chain | Residue |
| B | GLU168 |
| B | ILE171 |
| B | ARG184 |
| B | PHE185 |
| B | ASP186 |
| B | ARG188 |
| B | HOH937 |
| B | HOH965 |
| site_id | CC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL B 204 |
| Chain | Residue |
| B | HIS61 |
| B | LEU62 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE N 600 |
| Chain | Residue |
| N | 4NC2 |
| N | TYR408 |
| N | HIS460 |
| N | HIS462 |
| N | HOH949 |
| site_id | CC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE BME N 22 |
| Chain | Residue |
| M | PRO515 |
| M | HOH590 |
| M | HOH1054 |
| N | ARG307 |
| N | PHE308 |
| N | ARG531 |
| N | HOH978 |
| N | HOH1039 |
| site_id | CC8 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 4NC 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 | FE600 |
| N | HOH949 |
| N | HOH957 |
| site_id | CC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 C 201 |
| Chain | Residue |
| C | ASN37 |
| C | THR105 |
| C | HIS107 |
| site_id | DC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL C 202 |
| Chain | Residue |
| C | ILE171 |
| C | ARG184 |
| C | ASP186 |
| C | ARG188 |
| C | HOH813 |
| site_id | DC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME C 203 |
| Chain | Residue |
| C | ASN152 |
| C | ASN159 |
| C | ARG167 |
| C | GLU168 |
| site_id | DC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE BME C 204 |
| Chain | Residue |
| C | ARG133 |
| C | HOH975 |
| O | 4NC3 |
| O | TRP449 |
| O | ARG450 |
| O | HOH811 |
| O | HOH974 |
| site_id | DC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CO3 N 31 |
| Chain | Residue |
| N | ARG450 |
| N | GLY452 |
| N | HOH591 |
| O | SER338 |
| site_id | DC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE CO3 C 205 |
| Chain | Residue |
| C | ARG38 |
| C | LEU39 |
| C | LYS41 |
| C | ASN84 |
| C | LEU85 |
| C | ASN87 |
| C | ASN90 |
| C | HOH1055 |
| site_id | DC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BME O 14 |
| Chain | Residue |
| O | THR321 |
| O | PRO322 |
| O | ASP323 |
| O | LYS493 |
| O | HOH552 |
| site_id | DC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BME O 17 |
| Chain | Residue |
| N | SER438 |
| O | HIS534 |
| O | PHE535 |
| site_id | DC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME O 19 |
| Chain | Residue |
| O | ARG407 |
| O | PRO418 |
| O | LEU419 |
| O | HOH1062 |
| site_id | DC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL N 34 |
| Chain | Residue |
| N | HIS359 |
| N | ASP362 |
| site_id | EC1 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE BME O 20 |
| Chain | Residue |
| O | ARG383 |
| site_id | EC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BME O 21 |
| Chain | Residue |
| N | ILE328 |
| N | HOH1037 |
| O | ARG333 |
| site_id | EC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE TRS O 27 |
| Chain | Residue |
| O | GLN503 |
| O | ILE505 |
| O | ARG522 |
| O | PHE523 |
| O | ASP524 |
| O | HOH1005 |
| site_id | EC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL O 36 |
| Chain | Residue |
| O | ASP432 |
| O | SER433 |
| site_id | EC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE 4NC O 37 |
| Chain | Residue |
| O | HOH250 |
| O | PRO487 |
| O | LYS493 |
| O | VAL501 |
| O | GLN502 |
| O | ILE505 |
| O | HOH572 |
| site_id | EC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE O 600 |
| Chain | Residue |
| O | 4NC3 |
| O | TYR408 |
| O | HIS460 |
| O | HIS462 |
| O | HOH952 |
| site_id | EC7 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE 4NC O 3 |
| Chain | Residue |
| C | PRO15 |
| C | ARG133 |
| C | BME204 |
| O | TYR324 |
| O | TYR408 |
| O | HIS447 |
| O | TRP449 |
| O | ARG457 |
| O | HIS460 |
| O | HIS462 |
| O | ILE491 |
| O | FE600 |
| O | HOH952 |
| O | HOH955 |
| O | HOH974 |
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 |
