3CZR
Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Arylsulfonylpiperazine 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 (A, B) | Corticosteroid 11-beta-dehydrogenase isozyme 1 | polymer | 286 | 31836.9 | 2 | UniProt (P28845) Pfam (PF00106) | Homo sapiens (Human) | 11-DH, 11-beta-hydroxysteroid dehydrogenase 1, 11-beta-HSD1 |
| 2 | C, E (A, B) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) PubChem (5885) PubChem (46936685) PubChem (71717786) PubChem (4412) PubChem (90473931) PubChem (91972139) PubChem (145946263) PubChem (153311489) PubChem (174001641) PubChem (165382010) | |||
| 3 | D (A) | (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine | non-polymer | 417.5 | 1 | Chemie (3CZ) PubChem (24812720) PubChem (44237037) PubChem (74323006) | |||
| 4 | F (B) | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE | non-polymer | 614.9 | 1 | Chemie (CPS) PubChem (16396400) PubChem (18397788) PubChem (177530666) PubChem (24883538) PubChem (50987450) PubChem (51028881) PubChem (51028882) PubChem (53393728) PubChem (44120060) PubChem (58528211) PubChem (44450441) PubChem (53229977) PubChem (457060) PubChem (3659871) PubChem (107670) PubChem (71774074) PubChem (90488808) PubChem (91746229) PubChem (91809267) PubChem (102565428) PubChem (122361936) PubChem (122362044) PubChem (9895216) PubChem (10371606) PubChem (131632459) PubChem (133645855) PubChem (137704711) PubChem (146159681) | |||
| 5 | G, H (A, B) | water | water | 18.0 | 146 | 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 | 4 |
| Total formula weight | 2519.2 | |
| All* | Total formula weight | 66193.0 |
