7XJB
Rat-COMT, opicapone,SAM and Mg bond
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 |
| C | 0000287 | molecular_function | magnesium ion binding |
| C | 0006584 | biological_process | catecholamine metabolic process |
| C | 0008171 | molecular_function | O-methyltransferase activity |
| C | 0016206 | molecular_function | catechol O-methyltransferase activity |
| D | 0000287 | molecular_function | magnesium ion binding |
| D | 0006584 | biological_process | catecholamine metabolic process |
| D | 0008171 | molecular_function | O-methyltransferase activity |
| D | 0016206 | molecular_function | catechol O-methyltransferase activity |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01019, ECO:0000269|PubMed:12237326 |
| Chain | Residue | Details |
| A | VAL42 | |
| C | SER72 | |
| C | GLU90 | |
| C | ASP141 | |
| D | VAL42 | |
| D | SER72 | |
| D | GLU90 | |
| D | ASP141 | |
| A | SER72 | |
| A | GLU90 | |
| A | ASP141 | |
| B | VAL42 | |
| B | SER72 | |
| B | GLU90 | |
| B | ASP141 | |
| C | VAL42 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01019 |
| Chain | Residue | Details |
| A | GLU64 | |
| D | GLU64 | |
| D | MET91 | |
| D | SER119 | |
| A | MET91 | |
| A | SER119 | |
| B | GLU64 | |
| B | MET91 | |
| B | SER119 | |
| C | GLU64 | |
| C | MET91 | |
| C | SER119 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 20 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | GLY117 | |
| B | GLU199 | |
| C | GLY117 | |
| C | LYS144 | |
| C | ASP169 | |
| C | ASN170 | |
| C | GLU199 | |
| D | GLY117 | |
| D | LYS144 | |
| D | ASP169 | |
| D | ASN170 | |
| A | LYS144 | |
| D | GLU199 | |
| A | ASP169 | |
| A | ASN170 | |
| A | GLU199 | |
| B | GLY117 | |
| B | LYS144 | |
| B | ASP169 | |
| B | ASN170 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 12 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:22673903 |
| Chain | Residue | Details |
| A | SER216 | |
| D | SER216 | |
| D | SER217 | |
| D | SER221 | |
| A | SER217 | |
| A | SER221 | |
| B | SER216 | |
| B | SER217 | |
| B | SER221 | |
| C | SER216 | |
| C | SER217 | |
| C | SER221 |
Catalytic Information from CSA
| 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 |
| site_id | MCSA3 |
| Number of Residues | 5 |
| Details | M-CSA 915 |
| Chain | Residue | Details |
| C | ASP141 | metal ligand |
| C | LYS144 | proton shuttle (general acid/base) |
| C | ASP169 | metal ligand |
| C | ASN170 | metal ligand |
| C | GLU199 | electrostatic stabiliser |
| site_id | MCSA4 |
| Number of Residues | 5 |
| Details | M-CSA 915 |
| Chain | Residue | Details |
| D | ASP141 | metal ligand |
| D | LYS144 | proton shuttle (general acid/base) |
| D | ASP169 | metal ligand |
| D | ASN170 | metal ligand |
| D | GLU199 | electrostatic stabiliser |
