Structure of PDB 3ey4 Chain B

Receptor sequence
>3ey4B (length=255) Species: 9606 (Homo sapiens) [Search protein sequence]
FRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHVVVTARSKETLQKVVS
HCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNHITNTSL
NLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKVA
YPMVAAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMKA
VSGIVHMQAAPKEECALEIIKGGALRQEEVYYDSSLWTTLLIRNPSRKIL
EFLYS
3D structure
PDB3ey4 Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model
ChainB
Resolution3.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) S170 Y183 K187
Catalytic site (residue number reindexed from 1) S144 Y157 K161
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 NDP B G41 S43 K44 G45 A65 R66 S67 M93 N119 I121 N123 S170 Y183 K187 L215 G216 L217 I218 T220 T222 G15 S17 K18 G19 A39 R40 S41 M67 N93 I95 N97 S144 Y157 K161 L189 G190 L191 I192 T194 T196
BS02 352 B S125 L126 S170 L171 A172 Y183 G216 S99 L100 S144 L145 A146 Y157 G190 BindingDB: Ki=35nM,IC50=34nM
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:3ey4, PDBe:3ey4, PDBj:3ey4
PDBsum3ey4
PubMed
UniProtP28845|DHI1_HUMAN 11-beta-hydroxysteroid dehydrogenase 1 (Gene Name=HSD11B1)

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