3TFQ
Crystal structure of 11b-hsd1 double mutant (l262r, f278e) complexed with 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE
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-DH, 11-beta-HSD1 |
2 | A, B, D, E | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 4 | Chemie (NAP) | |||
3 | A, B, D, E | 8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile | non-polymer | 324.4 | 4 | Chemie (07M) | |||
4 | E | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
5 | water | water | 18.0 | 814 | 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 | 9 |
Total formula weight | 4363.1 | |
All* | Total formula weight | 129748.5 |