Structure of PDB 5pgu Chain E

Receptor sequence
>5pguE (length=263) Species: 9606 (Homo sapiens) [Search protein sequence]
EEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHVVVTARSKETLQKV
VSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNHITNT
SLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGK
VAYPMVAAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAM
KAVSGIVHMQAAPKEECALEIIKGGALRQEEVYYDSSRWTTLLIRNPCRK
ILEELYSTSYNMD
3D structure
PDB5pgu Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
ChainE
Resolution2.35 Å
3D
structure
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Enzymatic activity
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 NAP E G41 S43 K44 G45 I46 A65 R66 S67 M93 N119 I121 V168 S170 Y183 K187 L215 G216 L217 I218 T220 T222 A223 G17 S19 K20 G21 I22 A41 R42 S43 M69 N95 I97 V144 S146 Y159 K163 L191 G192 L193 I194 T196 T198 A199
BS02 8K4 E S125 L126 S170 Y177 V180 Y183 S101 L102 S146 Y153 V156 Y159 MOAD: ic50=1nM
BindingDB: IC50=1.000000nM
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
Biological Process
GO:0006706 steroid catabolic process
GO:0008202 steroid metabolic process
GO:0030324 lung development
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5pgu, PDBe:5pgu, PDBj:5pgu
PDBsum5pgu
PubMed28537398
UniProtP28845|DHI1_HUMAN 11-beta-hydroxysteroid dehydrogenase 1 (Gene Name=HSD11B1)

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