4WHS
4-fluorocatechol bound to Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 8.5
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0003824 | molecular_function | catalytic activity |
A | 0005506 | molecular_function | iron ion binding |
A | 0008199 | molecular_function | ferric iron binding |
A | 0009056 | biological_process | catabolic process |
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 | 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 | 0008199 | molecular_function | ferric iron binding |
B | 0009056 | biological_process | catabolic process |
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 | 0019619 | biological_process | 3,4-dihydroxybenzoate catabolic process |
B | 0042952 | biological_process | beta-ketoadipate pathway |
B | 0046872 | molecular_function | metal ion binding |
B | 0051213 | molecular_function | dioxygenase activity |
C | 0003824 | molecular_function | catalytic activity |
C | 0005506 | molecular_function | iron ion binding |
C | 0008199 | molecular_function | ferric iron binding |
C | 0009056 | biological_process | catabolic process |
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 | 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 | 0008199 | molecular_function | ferric iron binding |
D | 0009056 | biological_process | catabolic process |
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 | 0019619 | biological_process | 3,4-dihydroxybenzoate catabolic process |
D | 0042952 | biological_process | beta-ketoadipate pathway |
D | 0046872 | molecular_function | metal ion binding |
D | 0051213 | molecular_function | dioxygenase activity |
E | 0003824 | molecular_function | catalytic activity |
E | 0005506 | molecular_function | iron ion binding |
E | 0008199 | molecular_function | ferric iron binding |
E | 0009056 | biological_process | catabolic process |
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 | 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 | 0008199 | molecular_function | ferric iron binding |
F | 0009056 | biological_process | catabolic process |
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 | 0019619 | biological_process | 3,4-dihydroxybenzoate catabolic process |
F | 0042952 | biological_process | beta-ketoadipate pathway |
F | 0046872 | molecular_function | metal ion binding |
F | 0051213 | molecular_function | dioxygenase activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 5 |
Details | binding site for residue 3N8 A 301 |
Chain | Residue |
A | PRO164 |
A | ARG167 |
A | GLU168 |
A | ILE171 |
A | HOH470 |
site_id | AC2 |
Number of Residues | 3 |
Details | binding site for residue SO4 A 302 |
Chain | Residue |
A | ASN37 |
A | THR105 |
A | HIS107 |
site_id | AC3 |
Number of Residues | 5 |
Details | binding site for residue FE F 601 |
Chain | Residue |
F | TYR447 |
F | HIS460 |
F | HIS462 |
F | 3N8605 |
F | TYR408 |
site_id | AC4 |
Number of Residues | 6 |
Details | binding site for residue 3N8 F 602 |
Chain | Residue |
D | ARG450 |
D | PRO453 |
D | MET516 |
D | HOH762 |
F | SER338 |
F | HOH793 |
site_id | AC5 |
Number of Residues | 5 |
Details | binding site for residue BME F 603 |
Chain | Residue |
A | HOH413 |
A | HOH558 |
F | MET488 |
F | MET510 |
F | HOH736 |
site_id | AC6 |
Number of Residues | 7 |
Details | binding site for residue 3N8 F 604 |
Chain | Residue |
A | LEU160 |
B | SER338 |
B | PRO340 |
F | ARG450 |
F | PRO453 |
F | MET516 |
F | HOH931 |
site_id | AC7 |
Number of Residues | 12 |
Details | binding site for residue 3N8 F 605 |
Chain | Residue |
E | PRO15 |
E | TYR16 |
E | HOH534 |
F | TYR408 |
F | TYR447 |
F | TRP449 |
F | ARG457 |
F | HIS460 |
F | HIS462 |
F | FE601 |
F | HOH763 |
F | HOH889 |
site_id | AC8 |
Number of Residues | 2 |
Details | binding site for residue CL F 606 |
Chain | Residue |
F | PRO418 |
F | LEU419 |
site_id | AC9 |
Number of Residues | 5 |
Details | binding site for residue 3N8 E 301 |
Chain | Residue |
E | PRO164 |
E | ARG167 |
E | GLU168 |
E | ILE171 |
E | HOH488 |
site_id | AD1 |
Number of Residues | 7 |
Details | binding site for residue MUC E 302 |
Chain | Residue |
E | GLU168 |
E | THR169 |
E | ILE171 |
E | ARG184 |
E | PHE185 |
E | ASP186 |
E | ARG188 |
site_id | AD2 |
Number of Residues | 5 |
Details | binding site for residue 3N8 C 301 |
Chain | Residue |
C | PRO164 |
C | ARG167 |
C | GLU168 |
C | ILE171 |
C | HOH449 |
site_id | AD3 |
Number of Residues | 5 |
Details | binding site for residue BME C 302 |
Chain | Residue |
C | ALA151 |
C | HOH473 |
C | HOH488 |
C | HOH549 |
C | HOH561 |
site_id | AD4 |
Number of Residues | 6 |
Details | binding site for residue BME C 303 |
Chain | Residue |
B | 3N8604 |
C | ASN116 |
C | HOH439 |
C | HOH509 |
C | HOH532 |
D | PRO340 |
site_id | AD5 |
Number of Residues | 8 |
Details | binding site for residue MUC C 304 |
Chain | Residue |
C | GLU168 |
C | THR169 |
C | ILE171 |
C | ALA172 |
C | ARG184 |
C | PHE185 |
C | ASP186 |
C | HOH527 |
site_id | AD6 |
Number of Residues | 5 |
Details | binding site for residue FE D 601 |
Chain | Residue |
D | TYR408 |
D | TYR447 |
D | HIS460 |
D | HIS462 |
D | 3N8602 |
site_id | AD7 |
Number of Residues | 12 |
Details | binding site for residue 3N8 D 602 |
Chain | Residue |
C | PRO15 |
C | TYR16 |
C | HOH554 |
D | TYR408 |
D | TYR447 |
D | TRP449 |
D | ARG457 |
D | HIS460 |
D | HIS462 |
D | FE601 |
D | HOH891 |
D | HOH914 |
site_id | AD8 |
Number of Residues | 3 |
Details | binding site for residue 3N8 D 603 |
Chain | Residue |
D | ARG333 |
D | HOH907 |
B | ILE328 |
site_id | AD9 |
Number of Residues | 5 |
Details | binding site for residue FE B 601 |
Chain | Residue |
B | TYR408 |
B | TYR447 |
B | HIS460 |
B | HIS462 |
B | 3N8603 |
site_id | AE1 |
Number of Residues | 8 |
Details | binding site for residue BME B 602 |
Chain | Residue |
B | MET488 |
B | MET510 |
B | HOH713 |
B | HOH718 |
B | HOH740 |
C | PRO1 |
C | ILE2 |
C | GLU3 |
site_id | AE2 |
Number of Residues | 14 |
Details | binding site for residue 3N8 B 603 |
Chain | Residue |
A | PRO15 |
A | TYR16 |
A | HOH556 |
B | TYR408 |
B | TYR447 |
B | TRP449 |
B | ARG457 |
B | HIS460 |
B | HIS462 |
B | FE601 |
B | HOH878 |
B | HOH905 |
B | HOH915 |
B | HOH929 |
site_id | AE3 |
Number of Residues | 7 |
Details | binding site for residue 3N8 B 604 |
Chain | Residue |
B | ARG450 |
B | PRO453 |
B | MET516 |
B | HOH719 |
C | LEU160 |
C | BME303 |
D | SER338 |
site_id | AE4 |
Number of Residues | 2 |
Details | binding site for residue CL B 605 |
Chain | Residue |
B | ARG409 |
B | HIS410 |
site_id | AE5 |
Number of Residues | 4 |
Details | binding site for residue CL B 606 |
Chain | Residue |
B | TRP449 |
B | ARG450 |
B | HOH881 |
B | HOH915 |
Functional Information from PROSITE/UniProt
site_id | PS00083 |
Number of Residues | 29 |
Details | INTRADIOL_DIOXYGENAS Intradiol ring-cleavage dioxygenases signature. VaGrVvdqyGkpVpntlVEMwqanagGrY |
Chain | Residue | Details |
F | VAL380-TYR408 | |
D | VAL380-TYR408 | |
A | LEU51-TYR79 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000269|PubMed:7990141 |
Chain | Residue | Details |
D | TYR408 | |
D | TYR447 | |
D | HIS460 | |
D | HIS462 | |
B | TYR408 | |
B | TYR447 | |
B | HIS460 | |
B | HIS462 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 5 |
Details | M-CSA 936 |
Chain | Residue | Details |
D | TYR408 | metal ligand |
D | TYR447 | metal ligand, proton shuttle (general acid/base) |
D | ARG457 | electrostatic stabiliser |
D | HIS460 | metal ligand |
D | HIS462 | metal ligand |
site_id | MCSA2 |
Number of Residues | 5 |
Details | M-CSA 936 |
Chain | Residue | Details |
B | TYR408 | metal ligand |
B | TYR447 | metal ligand, proton shuttle (general acid/base) |
B | ARG457 | electrostatic stabiliser |
B | HIS460 | metal ligand |
B | HIS462 | metal ligand |