3GL0
Crystal structure of dicamba monooxygenase bound to 3,6 dichlorosalicylic acid (DCSA)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004497 | molecular_function | monooxygenase activity |
| A | 0009056 | biological_process | catabolic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0051537 | molecular_function | 2 iron, 2 sulfur cluster binding |
| B | 0004497 | molecular_function | monooxygenase activity |
| B | 0009056 | biological_process | catabolic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0051537 | molecular_function | 2 iron, 2 sulfur cluster binding |
| C | 0004497 | molecular_function | monooxygenase activity |
| C | 0009056 | biological_process | catabolic process |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0051537 | molecular_function | 2 iron, 2 sulfur cluster binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE FES A 500 |
| Chain | Residue |
| A | CYS49 |
| A | HIS51 |
| A | ARG52 |
| A | CYS68 |
| A | HIS71 |
| A | GLY72 |
| A | LEU73 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE FE A 501 |
| Chain | Residue |
| A | ASP294 |
| A | OXY700 |
| A | HIS160 |
| A | HIS165 |
| site_id | AC3 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE HXX A 600 |
| Chain | Residue |
| A | LEU202 |
| A | ASN230 |
| A | ILE232 |
| A | GLY249 |
| A | HIS251 |
| A | SER267 |
| A | LEU282 |
| A | TRP285 |
| A | HOH357 |
| A | HOH365 |
| A | HOH675 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE OXY A 700 |
| Chain | Residue |
| A | HIS160 |
| A | HIS165 |
| A | LEU290 |
| A | ASP294 |
| A | FE501 |
| site_id | AC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE EDO A 350 |
| Chain | Residue |
| A | TRP9 |
| A | TYR10 |
| A | VAL11 |
| A | VAL225 |
| A | SER226 |
| A | ALA227 |
| A | ILE252 |
| A | LEU253 |
| A | THR254 |
| A | HOH547 |
| A | HOH551 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 351 |
| Chain | Residue |
| A | GLU16 |
| A | ARG130 |
| A | GLY139 |
| A | HOH377 |
| A | HOH467 |
| A | HOH548 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO A 352 |
| Chain | Residue |
| A | ASP126 |
| A | GLY128 |
| A | CYS129 |
| A | LEU229 |
| A | ARG248 |
| A | HOH432 |
| A | HOH517 |
| A | HOH873 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE FES B 500 |
| Chain | Residue |
| B | CYS49 |
| B | HIS51 |
| B | ARG52 |
| B | ALA54 |
| B | CYS68 |
| B | HIS71 |
| B | GLY72 |
| B | LEU73 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE B 501 |
| Chain | Residue |
| B | ASN154 |
| B | HIS160 |
| B | HIS165 |
| B | ASP294 |
| B | OXY600 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE OXY B 600 |
| Chain | Residue |
| B | HIS160 |
| B | HIS165 |
| B | LEU290 |
| B | ASP294 |
| B | FE501 |
| site_id | BC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE HXX B 700 |
| Chain | Residue |
| B | LEU202 |
| B | ASN230 |
| B | HIS251 |
| B | SER267 |
| B | LEU282 |
| B | TRP285 |
| B | HOH366 |
| B | HOH371 |
| B | HOH440 |
| site_id | BC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE EDO B 350 |
| Chain | Residue |
| B | TRP9 |
| B | TYR10 |
| B | VAL11 |
| B | VAL225 |
| B | SER226 |
| B | ALA227 |
| B | ILE252 |
| B | LEU253 |
| B | THR254 |
| B | EDO353 |
| site_id | BC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO B 351 |
| Chain | Residue |
| B | LEU14 |
| B | GLU16 |
| B | ARG130 |
| B | THR137 |
| B | GLY139 |
| B | HOH431 |
| B | HOH536 |
| site_id | BC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO B 352 |
| Chain | Residue |
| B | ARG179 |
| B | ALA190 |
| B | MET192 |
| B | ASN218 |
| B | ASP219 |
| B | ILE220 |
| B | MET156 |
| B | ASP157 |
| B | LEU158 |
| site_id | BC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO B 353 |
| Chain | Residue |
| B | ALA8 |
| B | TRP9 |
| B | PRO125 |
| B | LYS224 |
| B | VAL225 |
| B | EDO350 |
| B | HOH684 |
| site_id | BC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE FES C 500 |
| Chain | Residue |
| C | CYS49 |
| C | HIS51 |
| C | ARG52 |
| C | CYS68 |
| C | HIS71 |
| C | GLY72 |
| C | LEU73 |
| site_id | BC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO C 350 |
| Chain | Residue |
| C | THR26 |
| C | GLU256 |
| C | THR257 |
| site_id | BC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO C 351 |
| Chain | Residue |
| C | LEU14 |
| C | GLU16 |
| C | ARG130 |
| C | VAL138 |
| C | GLY139 |
| C | HOH377 |
| C | HOH702 |
| site_id | CC1 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE EDO C 352 |
| Chain | Residue |
| C | TRP9 |
| C | TYR10 |
| C | VAL11 |
| C | LYS224 |
| C | VAL225 |
| C | SER226 |
| C | ALA227 |
| C | ILE252 |
| C | LEU253 |
| C | THR254 |
| C | HOH381 |
| C | HOH482 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 21 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:19616009, ECO:0000269|PubMed:19616011, ECO:0007744|PDB:3GB4, ECO:0007744|PDB:3GKE, ECO:0007744|PDB:3GL0, ECO:0007744|PDB:3GL2, ECO:0007744|PDB:3GOB, ECO:0007744|PDB:3GTE, ECO:0007744|PDB:3GTS |
| Chain | Residue | Details |
| A | CYS49 | |
| B | CYS68 | |
| B | HIS71 | |
| B | HIS160 | |
| B | HIS165 | |
| B | ASP294 | |
| C | CYS49 | |
| C | HIS51 | |
| C | CYS68 | |
| C | HIS71 | |
| C | HIS160 | |
| A | HIS51 | |
| C | HIS165 | |
| C | ASP294 | |
| A | CYS68 | |
| A | HIS71 | |
| A | HIS160 | |
| A | HIS165 | |
| A | ASP294 | |
| B | CYS49 | |
| B | HIS51 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:19616009, ECO:0000269|PubMed:19616011, ECO:0007744|PDB:3GB4, ECO:0007744|PDB:3GKE, ECO:0007744|PDB:3GL0, ECO:0007744|PDB:3GL2, ECO:0007744|PDB:3GOB, ECO:0007744|PDB:3GTS |
| Chain | Residue | Details |
| A | ASN230 | |
| A | HIS251 | |
| B | ASN230 | |
| B | HIS251 | |
| C | ASN230 | |
| C | HIS251 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:19616009, ECO:0000269|PubMed:19616011, ECO:0007744|PDB:3GB4, ECO:0007744|PDB:3GKE, ECO:0007744|PDB:3GL0, ECO:0007744|PDB:3GL2, ECO:0007744|PDB:3GTS |
| Chain | Residue | Details |
| A | TRP285 | |
| B | TRP285 | |
| C | TRP285 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 3 |
| Details | SITE: Plays a role in the stabilization of the metal coordination => ECO:0000269|PubMed:19616009 |
| Chain | Residue | Details |
| A | ASN154 | |
| B | ASN154 | |
| C | ASN154 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ndo |
| Chain | Residue | Details |
| A | ASP157 | |
| A | HIS160 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ndo |
| Chain | Residue | Details |
| B | ASP157 | |
| B | HIS160 |
| site_id | CSA3 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ndo |
| Chain | Residue | Details |
| C | ASP157 |
| site_id | CSA4 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ndo |
| Chain | Residue | Details |
| A | HIS71 |
| site_id | CSA5 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ndo |
| Chain | Residue | Details |
| B | HIS71 |
| site_id | CSA6 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ndo |
| Chain | Residue | Details |
| C | HIS71 |
