5QII
CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(3-(1-(4-CHLOROPHENYL)CYCLOPROPYL) -[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL)PROPAN-2-OL
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, D, E | Corticosteroid 11-beta-dehydrogenase isozyme 1 | polymer | 286 | 31346.3 | 4 | UniProt (P28845) Pfam (PF00106) In PDB | Homo sapiens (Human) | 11-beta-hydroxysteroid dehydrogenase 1,11-beta-HSD1,Short chain dehydrogenase/reductase family 26C member 1 |
| 2 | A, B, D, E | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 4 | Chemie (NAP) | |||
| 3 | A, B, D, E | 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol | non-polymer | 327.8 | 4 | Chemie (HJG) | |||
| 4 | water | water | 18.0 | 127 | Chemie (HOH) |
Sequence modifications
A, B, D, E: 24 - 292 (UniProt: P28845)
| PDB | External Database | Details |
|---|---|---|
| Gly 7 | - | expression tag |
| Ser 8 | - | expression tag |
| His 9 | - | expression tag |
| Met 10 | - | expression tag |
| Ala 11 | - | expression tag |
| Ser 12 | - | expression tag |
| Met 13 | - | expression tag |
| Thr 14 | - | expression tag |
| Gly 15 | - | expression tag |
| Gly 16 | - | expression tag |
| Gln 17 | - | expression tag |
| Gln 18 | - | expression tag |
| Met 19 | - | expression tag |
| Gly 20 | - | expression tag |
| Arg 21 | - | expression tag |
| Gly 22 | - | expression tag |
| Ser 23 | - | expression tag |
| Arg 262 | Leu 262 | engineered mutation |
| Glu 278 | Phe 278 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 125385.4 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 4284.9 | |
| All* | Total formula weight | 129670.2 |
