4K26
4,4-Dioxo-5,6-dihydro-[1,4,3]oxathiazines, a novel class of 11 -HSD1 inhibitors for the treatment of diabetes
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Corticosteroid 11-beta-dehydrogenase isozyme 1 | polymer | 276 | 30585.7 | 2 | UniProt (P50172) Pfam (PF00106) | Mus musculus (mouse) | 11-beta-hydroxysteroid dehydrogenase 1, 11-DH, 11-beta-HSD1, 11beta-HSD1A |
| 2 | C, G (A, B) | (4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide | non-polymer | 286.4 | 2 | Chemie (SFF) | |||
| 3 | D, E, H (A, B) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 4 | F, I (A, B) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 2 | Chemie (NDP) | |||
| 5 | J, K (A, B) | water | water | 18.0 | 253 | Chemie (HOH) |
Sequence modifications
A, B: 24 - 292 (UniProt: P50172)
| PDB | External Database | Details |
|---|---|---|
| Met 17 | - | expression tag |
| His 18 | - | expression tag |
| His 19 | - | expression tag |
| His 20 | - | expression tag |
| His 21 | - | expression tag |
| His 22 | - | expression tag |
| His 23 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 61171.4 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 2351.8 | |
| All* | Total formula weight | 63523.2 |
