5HCV
Identification of Spirooxindole and Dibenzoxazepine Motifs as Potent Mineralocorticoid Receptor Antagonists
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C | Mineralocorticoid receptor | polymer | 257 | 29873.6 | 3 | UniProt (P08235) Pfam (PF00104) In PDB | Homo sapiens (Human) | MR,Nuclear receptor subfamily 3 group C member 2 |
| 2 | A, B, C | 6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one | non-polymer | 373.4 | 3 | Chemie (60R) | |||
| 3 | B | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 4 | water | water | 18.0 | 260 | Chemie (HOH) |
Sequence modifications
A, B, C: 732 - 984 (UniProt: P08235)
| PDB | External Database | Details |
|---|---|---|
| Gly 728 | - | expression tag |
| Ser 729 | - | expression tag |
| His 730 | - | expression tag |
| Met 731 | - | expression tag |
| Ser 808 | Cys 808 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 89620.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1155.6 | |
| All* | Total formula weight | 90776.4 |
