4NMH
11-beta-HSD1 in complex with a 3,3-Di-methyl-azetidin-2-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, C, D | Corticosteroid 11-beta-dehydrogenase isozyme 1 | polymer | 296 | 32905.1 | 4 | UniProt (P50172) Pfam (PF00106) In PDB | Mus musculus (mouse) | 11-beta-hydroxysteroid dehydrogenase 1, 11-DH, 11-beta-HSD1, 11beta-HSD1A |
2 | A, B, C, D | (4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one | non-polymer | 359.4 | 4 | Chemie (2KG) | |||
3 | A, B, C, D | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 4 | Chemie (NDP) | |||
4 | A, B, C, D | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
5 | water | water | 18.0 | 33 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 24 - 292 (UniProt: P50172)
PDB | External Database | Details |
---|---|---|
Met -3 | - | expression tag |
Ser -2 | - | expression tag |
Tyr -1 | - | expression tag |
Tyr 0 | - | expression tag |
His 1 | - | expression tag |
His 2 | - | expression tag |
His 3 | - | expression tag |
His 4 | - | expression tag |
His 5 | - | expression tag |
His 6 | - | expression tag |
Asp 7 | - | expression tag |
Tyr 8 | - | expression tag |
Asp 9 | - | expression tag |
Ile 10 | - | expression tag |
Pro 11 | - | expression tag |
Thr 12 | - | expression tag |
Thr 13 | - | expression tag |
Glu 14 | - | expression tag |
Asn 15 | - | expression tag |
Leu 16 | - | expression tag |
Tyr 17 | - | expression tag |
Phe 18 | - | expression tag |
Gln 19 | - | expression tag |
Gly 20 | - | expression tag |
Ala 21 | - | expression tag |
Met 22 | - | expression tag |
Gly 23 | - | expression tag |
Val 175 | Met 175 | engineered mutation |
Tyr 177 | Gln 177 | engineered mutation |
Val 180 | Ile 180 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 131620.4 | |
Non-Polymers* | Number of molecules | 14 |
Total formula weight | 4995.8 | |
All* | Total formula weight | 136616.2 |