5PGW
CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3- HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
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-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE | non-polymer | 435.5 | 4 | Chemie (8KA) | |||
4 | water | water | 18.0 | 174 | 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 | 4715.7 | |
All* | Total formula weight | 130101.1 |