3MV6
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 | 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 SO4 A 201 |
| Chain | Residue |
| A | ASN37 |
| A | THR105 |
| A | HIS107 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 A 202 |
| Chain | Residue |
| A | HIS48 |
| A | LYS180 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 203 |
| Chain | Residue |
| A | ASP186 |
| A | ARG188 |
| A | THR169 |
| A | ILE171 |
| A | ARG184 |
| A | PHE185 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 201 |
| Chain | Residue |
| B | ASN37 |
| B | ARG38 |
| B | THR105 |
| B | HIS107 |
| B | HOH618 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 B 202 |
| Chain | Residue |
| B | HIS61 |
| B | LEU62 |
| B | ARG64 |
| B | HOH672 |
| C | GLN163 |
| C | GLN165 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BME B 203 |
| Chain | Residue |
| B | ILE171 |
| B | ARG184 |
| B | PHE185 |
| B | ASP186 |
| B | ARG188 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE BME B 204 |
| Chain | Residue |
| B | GLU34 |
| B | ILE35 |
| B | TRP36 |
| B | ASN37 |
| B | ARG38 |
| B | TYR83 |
| B | LEU85 |
| B | HOH230 |
| B | HOH297 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 C 201 |
| Chain | Residue |
| C | ASN37 |
| C | THR105 |
| C | HIS107 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL C 202 |
| Chain | Residue |
| C | ILE171 |
| C | ARG184 |
| C | PHE185 |
| C | ASP186 |
| C | ARG188 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL C 203 |
| Chain | Residue |
| C | ARG38 |
| C | LEU39 |
| C | ASN84 |
| C | LEU85 |
| C | ASN87 |
| C | ASN90 |
| site_id | BC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE BME M 1 |
| Chain | Residue |
| M | ARG409 |
| M | PRO421 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE FE M 600 |
| Chain | Residue |
| M | TYR408 |
| M | HIS460 |
| M | TYR462 |
| M | DHB539 |
| site_id | BC4 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE DHB M 539 |
| Chain | Residue |
| A | PRO15 |
| A | TYR16 |
| A | HOH374 |
| M | HOH137 |
| M | TYR408 |
| M | HIS447 |
| M | TRP449 |
| M | ARG457 |
| M | HIS460 |
| M | TYR462 |
| M | HOH540 |
| M | FE600 |
| M | HOH884 |
| site_id | BC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 N 6 |
| Chain | Residue |
| N | ARG414 |
| N | ARG450 |
| site_id | BC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE BME N 1 |
| Chain | Residue |
| N | ARG333 |
| site_id | BC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BME N 539 |
| Chain | Residue |
| N | THR321 |
| N | PRO322 |
| N | ASP323 |
| N | LYS493 |
| N | HOH752 |
| site_id | BC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BME N 3 |
| Chain | Residue |
| N | GLY357 |
| N | ALA358 |
| N | HIS359 |
| N | ASP360 |
| N | ASN366 |
| site_id | BC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE FE N 600 |
| Chain | Residue |
| N | TYR408 |
| N | HIS460 |
| N | TYR462 |
| N | DHB540 |
| site_id | CC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE DHB N 540 |
| Chain | Residue |
| B | PRO15 |
| B | TYR16 |
| B | HOH249 |
| N | HOH2 |
| N | TYR408 |
| N | TRP449 |
| N | ARG457 |
| N | HIS460 |
| N | TYR462 |
| N | FE600 |
| N | HOH836 |
| site_id | CC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 O 4 |
| Chain | Residue |
| O | ARG414 |
| O | ARG450 |
| site_id | CC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL O 1 |
| Chain | Residue |
| O | ARG409 |
| site_id | CC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE FE O 600 |
| Chain | Residue |
| O | TYR408 |
| O | HIS460 |
| O | TYR462 |
| O | DHB539 |
| site_id | CC5 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE DHB O 539 |
| Chain | Residue |
| C | PRO15 |
| C | TYR16 |
| O | HOH3 |
| O | TYR408 |
| O | HIS447 |
| O | TRP449 |
| O | ARG457 |
| O | HIS460 |
| O | TYR462 |
| O | ILE491 |
| O | FE600 |
| O | HOH845 |
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 | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:7990141 |
| Chain | Residue | Details |
| M | TYR408 | |
| O | HIS447 | |
| O | HIS460 | |
| O | TYR462 | |
| M | HIS447 | |
| M | HIS460 | |
| M | TYR462 | |
| N | TYR408 | |
| N | HIS447 | |
| N | HIS460 | |
| N | TYR462 | |
| O | TYR408 |
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 |
