4X8D
Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N-dimethyl-histidine and gamma-glutamyl-cysteine
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 | 17 |
| Details | binding site for residue 3GC A 501 |
| Chain | Residue |
| A | HIS51 |
| A | HOH665 |
| A | HOH684 |
| A | HOH701 |
| A | HOH737 |
| A | HOH751 |
| A | HOH770 |
| A | HOH841 |
| A | HOH897 |
| A | ARG87 |
| A | ARG90 |
| A | HIS138 |
| A | ASP416 |
| A | HIS417 |
| A | ARG420 |
| A | AVI502 |
| A | MN503 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | binding site for residue AVI A 502 |
| Chain | Residue |
| A | HIS134 |
| A | GLN137 |
| A | HIS138 |
| A | TYR377 |
| A | TYR380 |
| A | ASN414 |
| A | TRP415 |
| A | 3GC501 |
| A | MN503 |
| A | HOH641 |
| A | HOH665 |
| A | HOH678 |
| A | HOH745 |
| A | HOH897 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue MN A 503 |
| Chain | Residue |
| A | HIS51 |
| A | HIS134 |
| A | HIS138 |
| A | 3GC501 |
| A | AVI502 |
| A | HOH780 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 504 |
| Chain | Residue |
| A | SER172 |
| A | ALA289 |
| A | GLY290 |
| A | TRP431 |
| A | TRP431 |
| A | HOH633 |
| A | HOH667 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 505 |
| Chain | Residue |
| A | HOH622 |
| A | HOH622 |
| A | HOH632 |
| A | HOH632 |
| A | HOH1075 |
| A | HOH1075 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 506 |
| Chain | Residue |
| A | ASP225 |
| A | HOH777 |
| A | HOH854 |
| A | HOH936 |
| A | HOH952 |
| A | HOH1092 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 507 |
| Chain | Residue |
| A | HOH1034 |
| A | HOH1049 |
| A | HOH1112 |
| A | HOH1154 |
| A | HOH1203 |
| A | HOH1213 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | binding site for residue MG A 508 |
| Chain | Residue |
| A | ASP188 |
| A | HOH630 |
| A | HOH926 |
| A | HOH993 |
| A | HOH1058 |
| A | HOH1107 |
| A | HOH1157 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | binding site for residue MG A 509 |
| Chain | Residue |
| A | GLU11 |
| A | ASP406 |
| site_id | AD1 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 510 |
| Chain | Residue |
| A | ALA82 |
| A | HOH1018 |
| A | HOH1057 |
| site_id | AD2 |
| Number of Residues | 1 |
| Details | binding site for residue CL A 511 |
| Chain | Residue |
| A | ASP432 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 512 |
| Chain | Residue |
| A | HIS417 |
| A | PRO418 |
| A | HOH1138 |
| site_id | AD4 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 513 |
| Chain | Residue |
| A | GLY389 |
| A | SER390 |
| A | GLY391 |
| site_id | AD5 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 514 |
| Chain | Residue |
| A | ARG22 |
| A | HOH757 |
| A | HOH895 |
| A | HOH925 |
| site_id | AD6 |
| Number of Residues | 2 |
| Details | binding site for residue CL A 515 |
| Chain | Residue |
| A | GLY158 |
| A | HOH685 |
| site_id | AD7 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 516 |
| Chain | Residue |
| A | ARG313 |
| A | ARG314 |
| A | GLY318 |
| A | ASP319 |
| site_id | AD8 |
| Number of Residues | 8 |
| Details | binding site for residue CA A 517 |
| Chain | Residue |
| A | GLN353 |
| A | MET354 |
| A | GLY356 |
| A | VAL358 |
| A | GLU360 |
| A | GLY398 |
| A | GLY399 |
| A | HOH794 |
| site_id | AD9 |
| Number of Residues | 17 |
| Details | binding site for residue 3GC B 501 |
| Chain | Residue |
| B | HIS51 |
| B | ARG87 |
| B | ARG90 |
| B | HIS138 |
| B | ASP416 |
| B | HIS417 |
| B | ARG420 |
| B | AVI502 |
| B | MN503 |
| B | HOH626 |
| B | HOH640 |
| B | HOH648 |
| B | HOH676 |
| B | HOH728 |
| B | HOH781 |
| B | HOH787 |
| B | HOH839 |
| site_id | AE1 |
| Number of Residues | 14 |
| Details | binding site for residue AVI B 502 |
| Chain | Residue |
| B | HIS134 |
| B | GLN137 |
| B | HIS138 |
| B | TYR377 |
| B | TYR380 |
| B | ASN414 |
| B | TRP415 |
| B | 3GC501 |
| B | MN503 |
| B | HOH616 |
| B | HOH650 |
| B | HOH706 |
| B | HOH728 |
| B | HOH839 |
| site_id | AE2 |
| Number of Residues | 6 |
| Details | binding site for residue MN B 503 |
| Chain | Residue |
| B | HIS51 |
| B | HIS134 |
| B | HIS138 |
| B | 3GC501 |
| B | AVI502 |
| B | HOH758 |
| site_id | AE3 |
| Number of Residues | 7 |
| Details | binding site for residue MG B 504 |
| Chain | Residue |
| A | ASP117 |
| A | HOH606 |
| A | HOH612 |
| A | HOH817 |
| B | ASP267 |
| B | HOH713 |
| B | HOH841 |
| site_id | AE4 |
| Number of Residues | 2 |
| Details | binding site for residue MG B 505 |
| Chain | Residue |
| B | GLU73 |
| B | HOH604 |
| site_id | AE5 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 506 |
| Chain | Residue |
| B | GLY389 |
| B | SER390 |
| B | GLY391 |
| site_id | AE6 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 507 |
| Chain | Residue |
| B | PRO74 |
| B | ALA75 |
| B | HOH853 |
| site_id | AE7 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 508 |
| Chain | Residue |
| B | ALA82 |
| site_id | AE8 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 509 |
| Chain | Residue |
| B | SER172 |
| site_id | AE9 |
| Number of Residues | 2 |
| Details | binding site for residue CL B 510 |
| Chain | Residue |
| B | HIS417 |
| B | PRO418 |
| site_id | AF1 |
| Number of Residues | 8 |
| Details | binding site for residue CA B 511 |
| Chain | Residue |
| B | GLN353 |
| B | MET354 |
| B | GLY356 |
| B | VAL358 |
| B | GLU360 |
| B | GLY398 |
| B | GLY399 |
| B | HOH757 |
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 |
