5HCV
Identification of Spirooxindole and Dibenzoxazepine Motifs as Potent Mineralocorticoid Receptor Antagonists
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | binding site for residue 60R A 1001 |
| Chain | Residue |
| A | LEU769 |
| A | PHE941 |
| A | CYS942 |
| A | THR945 |
| A | VAL954 |
| A | PHE956 |
| A | ASN770 |
| A | GLN776 |
| A | MET807 |
| A | SER810 |
| A | SER811 |
| A | LEU814 |
| A | ARG817 |
| A | LEU938 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | binding site for residue 60R B 1001 |
| Chain | Residue |
| B | LEU769 |
| B | ASN770 |
| B | GLN776 |
| B | MET807 |
| B | SER810 |
| B | SER811 |
| B | LEU814 |
| B | ARG817 |
| B | PHE829 |
| B | MET845 |
| B | LEU938 |
| B | PHE941 |
| B | CYS942 |
| B | THR945 |
| site_id | AC3 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 1002 |
| Chain | Residue |
| B | ARG817 |
| site_id | AC4 |
| Number of Residues | 15 |
| Details | binding site for residue 60R C 1001 |
| Chain | Residue |
| C | LEU769 |
| C | ASN770 |
| C | LEU772 |
| C | GLN776 |
| C | MET807 |
| C | SER810 |
| C | SER811 |
| C | LEU814 |
| C | ARG817 |
| C | MET845 |
| C | LEU938 |
| C | PHE941 |
| C | CYS942 |
| C | THR945 |
| C | PHE956 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 9 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15908963, ECO:0000269|PubMed:15967794, ECO:0007744|PDB:1YA3, ECO:0007744|PDB:2AA5, ECO:0007744|PDB:2AA6 |
| Chain | Residue | Details |
| A | ASN770 | |
| A | GLN776 | |
| A | ARG817 | |
| B | ASN770 | |
| B | GLN776 | |
| B | ARG817 | |
| C | ASN770 | |
| C | GLN776 | |
| C | ARG817 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15967794, ECO:0007744|PDB:2AA5, ECO:0007744|PDB:2AA6 |
| Chain | Residue | Details |
| A | THR945 | |
| B | THR945 | |
| C | THR945 |
