Structure of PDB 5qii Chain D

Receptor sequence
>5qiiD (length=273) Species: 9606 (Homo sapiens) [Search protein sequence]
SMTGGQQMGRGSNEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHV
VVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMG
GLDMLILNHITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQS
NGSIVVVSSLAGKVAYPMVAAYSASKFALDGFFSSIRKEYSVSRVNVSIT
LCVLGLIDTETAMKAVSGIVHMQAAPKEECALEIIKGGALRQEEVYYDSS
RWTTLLIRNPCRKILEELYSTSY
3D structure
PDB5qii Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ChainD
Resolution2.45 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) S159 Y172 K176
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 D G41 S43 K44 G45 I46 R66 S67 T92 M93 N119 I121 V168 S170 Y183 K187 L215 G216 I218 T220 T222 A223 G30 S32 K33 G34 I35 R55 S56 T81 M82 N108 I110 V157 S159 Y172 K176 L204 G205 I207 T209 T211 A212
BS02 HJG D S170 Y177 Y183 L217 A223 S159 Y166 Y172 L206 A212 BindingDB: Ki=0.900000nM,IC50=2.3nM
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:5qii, PDBe:5qii, PDBj:5qii
PDBsum5qii
PubMed30613321
UniProtP28845|DHI1_HUMAN 11-beta-hydroxysteroid dehydrogenase 1 (Gene Name=HSD11B1)

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