Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0006584 | biological_process | catecholamine metabolic process |
| A | 0008171 | molecular_function | O-methyltransferase activity |
| A | 0016206 | molecular_function | catechol O-methyltransferase activity |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0006584 | biological_process | catecholamine metabolic process |
| B | 0008171 | molecular_function | O-methyltransferase activity |
| B | 0016206 | molecular_function | catechol O-methyltransferase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A1216 |
| Chain | Residue |
| A | ASP141 |
| A | ASP169 |
| A | ASN170 |
| A | BIE1218 |
| A | HOH2205 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B1216 |
| Chain | Residue |
| B | HOH2186 |
| B | ASP141 |
| B | ASP169 |
| B | ASN170 |
| B | BIE1218 |
| site_id | AC3 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE SAM A1217 |
| Chain | Residue |
| A | MET40 |
| A | VAL42 |
| A | GLY66 |
| A | ALA67 |
| A | TYR68 |
| A | TYR71 |
| A | SER72 |
| A | GLU90 |
| A | MET91 |
| A | TYR95 |
| A | GLY117 |
| A | ALA118 |
| A | SER119 |
| A | GLN120 |
| A | ASP141 |
| A | HIS142 |
| A | TRP143 |
| A | BIE1218 |
| A | HOH2285 |
| A | HOH2286 |
| A | HOH2287 |
| site_id | AC4 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE SAM B1217 |
| Chain | Residue |
| B | MET40 |
| B | ASN41 |
| B | VAL42 |
| B | GLY66 |
| B | ALA67 |
| B | TYR68 |
| B | TYR71 |
| B | SER72 |
| B | MET89 |
| B | GLU90 |
| B | MET91 |
| B | TYR95 |
| B | GLY117 |
| B | ALA118 |
| B | SER119 |
| B | GLN120 |
| B | ASP141 |
| B | HIS142 |
| B | TRP143 |
| B | ARG146 |
| B | BIE1218 |
| B | HOH2259 |
| B | HOH2260 |
| B | HOH2261 |
| site_id | AC5 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE BIE A1218 |
| Chain | Residue |
| A | MET40 |
| A | ASP141 |
| A | HIS142 |
| A | TRP143 |
| A | LYS144 |
| A | ASP169 |
| A | ASN170 |
| A | PRO174 |
| A | GLU199 |
| A | MG1216 |
| A | SAM1217 |
| A | BU31219 |
| A | HOH2205 |
| B | TRP38 |
| B | BIE1218 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE BU3 A1219 |
| Chain | Residue |
| A | TRP143 |
| A | LYS144 |
| A | BIE1218 |
| A | HOH2289 |
| A | HOH2290 |
| B | TRP38 |
| B | BIE1218 |
| site_id | AC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE BU3 A1220 |
| Chain | Residue |
| A | LYS144 |
| A | ASP145 |
| A | PRO177 |
| A | ASP178 |
| A | HOH2240 |
| B | LYS36 |
| B | GLU37 |
| B | BU31219 |
| B | HOH2070 |
| B | HOH2072 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE MES B1215 |
| Chain | Residue |
| A | TRP143 |
| A | HOH2009 |
| B | TRP143 |
| B | LYS144 |
| B | BIE1218 |
| B | HOH2255 |
| B | HOH2257 |
| B | HOH2258 |
| site_id | AC9 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE BIE B1218 |
| Chain | Residue |
| B | TRP143 |
| B | LYS144 |
| B | ASP169 |
| B | ASN170 |
| B | GLU199 |
| B | MES1215 |
| B | MG1216 |
| B | SAM1217 |
| B | HOH2186 |
| A | BIE1218 |
| A | BU31219 |
| B | ASP141 |
| B | HIS142 |
| site_id | BC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE BU3 B1219 |
| Chain | Residue |
| A | PRO174 |
| A | BU31220 |
| A | HOH2232 |
| B | LYS36 |
| B | GLU37 |
| B | HOH2262 |
| B | HOH2263 |
| B | HOH2264 |
Functional Information from SwissProt/UniProt
| Chain | Residue | Details |
| A | VAL42 | |
| A | SER72 | |
| A | GLU90 | |
| A | ASP141 | |
| B | VAL42 | |
| B | SER72 | |
| B | GLU90 | |
| B | ASP141 | |
| Chain | Residue | Details |
| A | GLU64 | |
| A | MET91 | |
| A | SER119 | |
| B | GLU64 | |
| B | MET91 | |
| B | SER119 | |
| site_id | SWS_FT_FI3 |
| Number of Residues | 10 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | GLY117 | |
| B | GLU199 | |
| A | LYS144 | |
| A | ASP169 | |
| A | ASN170 | |
| A | GLU199 | |
| B | GLY117 | |
| B | LYS144 | |
| B | ASP169 | |
| B | ASN170 | |
| Chain | Residue | Details |
| A | SER216 | |
| A | SER217 | |
| A | SER221 | |
| B | SER216 | |
| B | SER217 | |
| B | SER221 | |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1vid |
| Chain | Residue | Details |
| A | GLU199 | |
| A | LYS144 | |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1vid |
| Chain | Residue | Details |
| B | GLU199 | |
| B | LYS144 | |
| site_id | MCSA1 |
| Number of Residues | 5 |
| Details | M-CSA 915 |
| Chain | Residue | Details |
| A | ASP141 | metal ligand |
| A | LYS144 | proton shuttle (general acid/base) |
| A | ASP169 | metal ligand |
| A | ASN170 | metal ligand |
| A | GLU199 | electrostatic stabiliser |
| site_id | MCSA2 |
| Number of Residues | 5 |
| Details | M-CSA 915 |
| Chain | Residue | Details |
| B | ASP141 | metal ligand |
| B | LYS144 | proton shuttle (general acid/base) |
| B | ASP169 | metal ligand |
| B | ASN170 | metal ligand |
| B | GLU199 | electrostatic stabiliser |
