3FRJ
Crystal Structure of 11b-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Piperidyl Benzamide Inhibitor
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Corticosteroid 11-beta-Dehydrogenase, Isozyme 1 | polymer | 286 | 31836.9 | 2 | UniProt (P28845) Pfam (PF00106) In PDB | Homo sapiens (human) | 11-beta-hydroxysteroid dehydrogenase 1, 11-beta-HSD1, 11-DH |
2 | A, B | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) | |||
3 | B | N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide | non-polymer | 453.5 | 1 | Chemie (A49) | |||
4 | water | water | 18.0 | 165 | Chemie (HOH) |
Sequence modifications
A, B: 24 - 292 (UniProt: P28845)
PDB | External Database | Details |
---|---|---|
Met 7 | - | expression tag |
Lys 8 | - | expression tag |
His 9 | - | expression tag |
Gln 10 | - | expression tag |
His 11 | - | expression tag |
Gln 12 | - | expression tag |
His 13 | - | expression tag |
Gln 14 | - | expression tag |
His 15 | - | expression tag |
Gln 16 | - | expression tag |
His 17 | - | expression tag |
Gln 18 | - | expression tag |
His 19 | - | expression tag |
Gln 20 | - | expression tag |
Gln 21 | - | expression tag |
Pro 22 | - | expression tag |
Leu 23 | - | expression tag |
Ser 272 | Cys 272 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 63673.8 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 1940.3 | |
All* | Total formula weight | 65614.1 |