Structure of PDB 4hx5 Chain B
Receptor sequence
| >4hx5B (length=264) Species: 9606 (Homo sapiens) [Search protein sequence] |
| QQPLNEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHVVVTARSKE TLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILN HITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVS SLAGKVAYPMVAAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLID TETAMKAVSGIVHMQAAPKEECALEIIKGGALRQEEVYYDSSLWTTLLIR NPSRKILEFLYSTS |
3D structure
| PDB | 4hx5 Discovery of SAR184841, a potent and long-lasting inhibitor of 11beta-hydroxysteroid dehydrogenase type 1, active in a physiopathological animal model of T2D | ||
| Chain | B | ||
| Resolution | 2.19 Å | ||
| 3D structure |
|
Enzymatic activity
| Catalytic site (original residue number in PDB) | S170 Y183 K187 |
| Catalytic site (residue number reindexed from 1) | S151 Y164 K168 |
| Enzyme Commision number | 1.1.1.146: 11beta-hydroxysteroid dehydrogenase. 1.1.1.201: 7beta-hydroxysteroid dehydrogenase (NADP(+)). |
Interaction with ligand
| Site # |
Ligand | Ligand chain |
Binding residues on receptor (original residue number in PDB) |
Binding residues on receptor (residue number reindexed from 1) |
Binding affinity |
|---|---|---|---|---|---|
| BS01 | 19V | B | L279 Y280 | L260 Y261 | MOAD: ic50=4nM |
| BS02 | 19V | B | I121 T124 S170 Y177 Y183 G216 L217 T222 A226 M233 D259 S261 | I102 T105 S151 Y158 Y164 G197 L198 T203 A207 M214 D240 S242 | MOAD: ic50=4nM |
| BS03 | NDP | B | G41 S43 G45 I46 R66 S67 T92 M93 N119 H120 I121 V168 S170 Y183 K187 L215 L217 I218 T220 T222 A223 | G22 S24 G26 I27 R47 S48 T73 M74 N100 H101 I102 V149 S151 Y164 K168 L196 L198 I199 T201 T203 A204 |
Gene Ontology
| Molecular Function | |
|---|---|
| GO:0005496 | steroid binding |
| GO:0016491 | oxidoreductase activity |
| GO:0042803 | protein homodimerization activity |
| GO:0047022 | 7-beta-hydroxysteroid dehydrogenase (NADP+) activity |
| GO:0050661 | NADP binding |
| GO:0070524 | 11-beta-hydroxysteroid dehydrogenase (NADP+) activity |
| GO:0102196 | cortisol dehydrogenase activity |
