4WHR
Anhydride reaction intermediate trapped in 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 | 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 | 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 | 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 |
D | 0003824 | molecular_function | catalytic activity |
D | 0005506 | molecular_function | iron ion binding |
D | 0006725 | biological_process | obsolete cellular aromatic compound metabolic process |
D | 0008199 | molecular_function | ferric iron binding |
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 | obsolete aromatic compound catabolic process |
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 | 0006725 | biological_process | obsolete cellular aromatic compound metabolic process |
E | 0008199 | molecular_function | ferric iron binding |
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 | obsolete 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 | obsolete cellular aromatic compound metabolic process |
F | 0008199 | molecular_function | ferric iron binding |
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 | obsolete aromatic compound catabolic process |
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 | HOH463 |
site_id | AC2 |
Number of Residues | 10 |
Details | binding site for residue BME A 302 |
Chain | Residue |
B | PRO349 |
B | PHE351 |
B | SER466 |
B | LYS473 |
B | HOH758 |
B | HOH814 |
A | GLU69 |
A | PHE92 |
A | ARG94 |
A | HOH484 |
site_id | AC3 |
Number of Residues | 5 |
Details | binding site for residue 3N8 E 301 |
Chain | Residue |
E | PRO164 |
E | ARG167 |
E | GLU168 |
E | ILE171 |
E | HOH491 |
site_id | AC4 |
Number of Residues | 5 |
Details | binding site for residue 3N8 C 301 |
Chain | Residue |
C | PRO164 |
C | ARG167 |
C | GLU168 |
C | ILE171 |
C | HOH433 |
site_id | AC5 |
Number of Residues | 5 |
Details | binding site for residue FE D 601 |
Chain | Residue |
D | TYR408 |
D | TYR447 |
D | HIS460 |
D | HIS462 |
D | HOH895 |
site_id | AC6 |
Number of Residues | 9 |
Details | binding site for residue 3N8 D 602 |
Chain | Residue |
B | PRO515 |
D | ARG307 |
D | PHE308 |
D | ILE310 |
D | PRO340 |
D | GLN341 |
D | ARG531 |
D | GLU536 |
D | HOH878 |
site_id | AC7 |
Number of Residues | 4 |
Details | binding site for residue 3N8 D 603 |
Chain | Residue |
D | ARG377 |
D | LEU416 |
D | ALA417 |
D | MET516 |
site_id | AC8 |
Number of Residues | 4 |
Details | binding site for residue 3N8 D 604 |
Chain | Residue |
B | PRO515 |
B | MET516 |
D | SER338 |
D | ILE339 |
site_id | AC9 |
Number of Residues | 5 |
Details | binding site for residue 3N8 D 605 |
Chain | Residue |
B | ILE328 |
B | TRS604 |
D | ARG333 |
D | HOH869 |
D | HOH892 |
site_id | AD1 |
Number of Residues | 5 |
Details | binding site for residue 3N8 D 606 |
Chain | Residue |
D | ILE495 |
D | ALA496 |
D | VAL501 |
D | HOH842 |
D | HOH893 |
site_id | AD2 |
Number of Residues | 6 |
Details | binding site for residue FE B 601 |
Chain | Residue |
B | TYR408 |
B | TYR447 |
B | HIS460 |
B | HIS462 |
B | 3NJ607 |
B | HOH882 |
site_id | AD3 |
Number of Residues | 6 |
Details | binding site for residue 3N8 B 602 |
Chain | Residue |
B | ARG333 |
B | TRS604 |
B | HOH850 |
B | HOH878 |
F | PRO322 |
F | ILE328 |
site_id | AD4 |
Number of Residues | 6 |
Details | binding site for residue 3N8 B 603 |
Chain | Residue |
A | LEU160 |
B | SER338 |
B | ILE339 |
B | PRO340 |
F | ARG450 |
F | MET516 |
site_id | AD5 |
Number of Residues | 8 |
Details | binding site for residue TRS B 604 |
Chain | Residue |
B | ARG333 |
B | 3N8602 |
B | HOH850 |
D | ARG333 |
D | 3N8605 |
F | ARG333 |
F | 3N8602 |
F | HOH747 |
site_id | AD6 |
Number of Residues | 9 |
Details | binding site for residue 3N8 B 605 |
Chain | Residue |
B | ARG307 |
B | PHE308 |
B | ILE310 |
B | PRO340 |
B | GLN341 |
B | ARG531 |
B | GLU536 |
B | HOH830 |
F | PRO515 |
site_id | AD7 |
Number of Residues | 3 |
Details | binding site for residue BME B 606 |
Chain | Residue |
B | ARG377 |
B | LEU416 |
B | ALA417 |
site_id | AD8 |
Number of Residues | 13 |
Details | binding site for residue 3NJ B 607 |
Chain | Residue |
B | TRP449 |
B | ARG457 |
B | HIS460 |
B | HIS462 |
B | GLN477 |
B | ILE491 |
B | FE601 |
B | HOH873 |
B | HOH882 |
A | THR12 |
A | GLY14 |
A | PRO15 |
B | TYR447 |
site_id | AD9 |
Number of Residues | 10 |
Details | binding site for residue 3N8 F 601 |
Chain | Residue |
D | PRO515 |
F | ARG307 |
F | PHE308 |
F | ILE310 |
F | PRO340 |
F | GLN341 |
F | ARG531 |
F | GLU536 |
F | HOH702 |
F | HOH816 |
site_id | AE1 |
Number of Residues | 6 |
Details | binding site for residue 3N8 F 602 |
Chain | Residue |
B | TRS604 |
D | PRO322 |
D | ILE328 |
F | ARG333 |
F | HOH747 |
F | HOH852 |
site_id | AE2 |
Number of Residues | 6 |
Details | binding site for residue 3N8 F 603 |
Chain | Residue |
D | ARG450 |
D | MET516 |
F | SER338 |
F | ILE339 |
F | PRO340 |
F | HOH702 |
site_id | AE3 |
Number of Residues | 2 |
Details | binding site for residue CL F 604 |
Chain | Residue |
F | ARG409 |
F | PRO421 |
site_id | AE4 |
Number of Residues | 5 |
Details | binding site for residue BME F 605 |
Chain | Residue |
A | HOH406 |
A | HOH526 |
F | MHO488 |
F | MET510 |
F | HOH728 |
site_id | AE5 |
Number of Residues | 4 |
Details | binding site for residue BME F 606 |
Chain | Residue |
F | ARG377 |
F | LEU416 |
F | ALA417 |
F | MET516 |
site_id | AE6 |
Number of Residues | 5 |
Details | binding site for residue FE F 607 |
Chain | Residue |
F | TYR408 |
F | TYR447 |
F | HIS460 |
F | HIS462 |
F | HOH866 |
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 | |
F | VAL380-TYR408 | |
D | VAL380-TYR408 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000269|PubMed:7990141 |
Chain | Residue | Details |
F | TYR408 | |
F | TYR447 | |
F | HIS460 | |
F | 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 |
F | TYR408 | metal ligand |
F | TYR447 | metal ligand, proton shuttle (general acid/base) |
F | ARG457 | electrostatic stabiliser |
F | HIS460 | metal ligand |
F | 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 |