4X8E
Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N,N-trimethyl-histidine
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004497 | molecular_function | monooxygenase activity |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| A | 0044875 | molecular_function | gamma-glutamyl hercynylcysteine sulfoxide synthase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0052699 | biological_process | ergothioneine biosynthetic process |
| A | 0052704 | biological_process | ergothioneine biosynthesis from histidine via gamma-glutamyl-hercynylcysteine sulfoxide |
| B | 0004497 | molecular_function | monooxygenase activity |
| B | 0005506 | molecular_function | iron ion binding |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| B | 0044875 | molecular_function | gamma-glutamyl hercynylcysteine sulfoxide synthase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0052699 | biological_process | ergothioneine biosynthetic process |
| B | 0052704 | biological_process | ergothioneine biosynthesis from histidine via gamma-glutamyl-hercynylcysteine sulfoxide |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 16 |
| Details | binding site for residue AVJ A 501 |
| Chain | Residue |
| A | HIS134 |
| A | HOH670 |
| A | HOH671 |
| A | HOH685 |
| A | HOH755 |
| A | HOH838 |
| A | HOH867 |
| A | HOH899 |
| A | GLN137 |
| A | HIS138 |
| A | TYR377 |
| A | TYR380 |
| A | ASN414 |
| A | TRP415 |
| A | GOL505 |
| A | FE515 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue GOL A 502 |
| Chain | Residue |
| A | ARG22 |
| A | ARG25 |
| A | LEU26 |
| A | HOH714 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 503 |
| Chain | Residue |
| A | SER172 |
| A | ALA289 |
| A | GLY290 |
| A | TRP431 |
| A | TRP431 |
| A | HOH639 |
| A | HOH657 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | binding site for residue GOL A 504 |
| Chain | Residue |
| A | HIS200 |
| A | ILE297 |
| A | PRO370 |
| A | HOH644 |
| A | HOH686 |
| A | HOH741 |
| A | HOH788 |
| A | HOH845 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | binding site for residue GOL A 505 |
| Chain | Residue |
| A | ARG87 |
| A | THR141 |
| A | GLN144 |
| A | ASP416 |
| A | GLN422 |
| A | AVJ501 |
| A | HOH624 |
| A | HOH856 |
| site_id | AC6 |
| Number of Residues | 14 |
| Details | binding site for residue GOL A 506 |
| Chain | Residue |
| A | HIS51 |
| A | GLN55 |
| A | LEU58 |
| A | TRP59 |
| A | TYR80 |
| A | ASP81 |
| A | ALA82 |
| A | PHE83 |
| A | TYR377 |
| A | ARG379 |
| A | HOH617 |
| A | HOH820 |
| A | HOH826 |
| A | HOH935 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | binding site for residue GOL A 507 |
| Chain | Residue |
| A | ALA82 |
| A | PHE83 |
| A | PHE384 |
| A | CL512 |
| A | CL513 |
| A | HOH671 |
| A | HOH720 |
| A | HOH755 |
| A | HOH935 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 508 |
| Chain | Residue |
| A | GLN251 |
| A | ARG421 |
| A | HOH602 |
| A | HOH627 |
| A | HOH634 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 509 |
| Chain | Residue |
| A | GLY63 |
| A | GLY64 |
| A | ASP65 |
| A | ILE376 |
| A | GLN378 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue CL A 510 |
| Chain | Residue |
| A | ARG87 |
| A | ARG90 |
| A | CL513 |
| A | HOH661 |
| A | HOH755 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 511 |
| Chain | Residue |
| A | HIS417 |
| A | PRO418 |
| A | HOH1209 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 512 |
| Chain | Residue |
| A | PHE384 |
| A | TYR393 |
| A | GOL507 |
| A | HOH939 |
| site_id | AD4 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 513 |
| Chain | Residue |
| A | ARG87 |
| A | ARG90 |
| A | GOL507 |
| A | CL510 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 514 |
| Chain | Residue |
| A | GLY389 |
| A | SER390 |
| A | GLY391 |
| site_id | AD6 |
| Number of Residues | 6 |
| Details | binding site for residue FE A 515 |
| Chain | Residue |
| A | HOH838 |
| A | HOH867 |
| A | HIS51 |
| A | HIS134 |
| A | HIS138 |
| A | AVJ501 |
| site_id | AD7 |
| Number of Residues | 8 |
| Details | binding site for residue CA A 516 |
| Chain | Residue |
| A | GLN353 |
| A | MET354 |
| A | GLY356 |
| A | VAL358 |
| A | GLU360 |
| A | GLY398 |
| A | GLY399 |
| A | HOH795 |
| site_id | AD8 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 517 |
| Chain | Residue |
| A | HOH1045 |
| A | HOH1053 |
| A | HOH1153 |
| A | HOH1220 |
| A | HOH1257 |
| A | HOH1259 |
| site_id | AD9 |
| Number of Residues | 14 |
| Details | binding site for residue AVJ B 501 |
| Chain | Residue |
| B | HIS134 |
| B | GLN137 |
| B | HIS138 |
| B | TYR377 |
| B | TYR380 |
| B | ASN414 |
| B | TRP415 |
| B | FE508 |
| B | HOH633 |
| B | HOH709 |
| B | HOH716 |
| B | HOH718 |
| B | HOH800 |
| B | HOH835 |
| site_id | AE1 |
| Number of Residues | 5 |
| Details | binding site for residue GOL B 502 |
| Chain | Residue |
| B | HIS200 |
| B | ILE297 |
| B | PRO370 |
| B | HOH649 |
| B | HOH781 |
| site_id | AE2 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 503 |
| Chain | Residue |
| B | ALA217 |
| B | ARG220 |
| B | TRP253 |
| B | PRO270 |
| B | HOH603 |
| B | HOH740 |
| site_id | AE3 |
| Number of Residues | 4 |
| Details | binding site for residue GOL B 504 |
| Chain | Residue |
| B | ARG22 |
| B | ARG25 |
| B | LEU26 |
| B | HOH655 |
| site_id | AE4 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 505 |
| Chain | Residue |
| B | GLN251 |
| B | ARG421 |
| B | HOH602 |
| B | HOH628 |
| B | HOH680 |
| B | HOH868 |
| site_id | AE5 |
| Number of Residues | 4 |
| Details | binding site for residue CL B 506 |
| Chain | Residue |
| B | ARG87 |
| B | ARG90 |
| B | HOH800 |
| B | HOH872 |
| site_id | AE6 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 507 |
| Chain | Residue |
| B | HIS417 |
| B | PRO418 |
| B | HOH978 |
| site_id | AE7 |
| Number of Residues | 6 |
| Details | binding site for residue FE B 508 |
| Chain | Residue |
| B | HIS51 |
| B | HIS134 |
| B | HIS138 |
| B | AVJ501 |
| B | HOH782 |
| B | HOH835 |
| site_id | AE8 |
| Number of Residues | 8 |
| Details | binding site for residue CA B 509 |
| Chain | Residue |
| B | GLN353 |
| B | MET354 |
| B | GLY356 |
| B | VAL358 |
| B | GLU360 |
| B | GLY398 |
| B | GLY399 |
| B | HOH791 |
| site_id | AE9 |
| Number of Residues | 6 |
| Details | binding site for residue MG B 510 |
| Chain | Residue |
| A | HOH728 |
| A | HOH1015 |
| B | ASP267 |
| B | HOH653 |
| B | HOH740 |
| B | HOH790 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:25597398, ECO:0007744|PDB:4X8E |
| Chain | Residue | Details |
| A | HIS51 | |
| A | HIS134 | |
| A | HIS138 | |
| B | HIS51 | |
| B | HIS134 | |
| B | HIS138 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:25597398, ECO:0007744|PDB:4X8D |
| Chain | Residue | Details |
| A | ARG87 | |
| A | ASP416 | |
| A | ARG420 | |
| B | ARG87 | |
| B | ASP416 | |
| B | ARG420 |
