Structure of PDB 4ijw Chain D

Receptor sequence
>4ijwD (length=275) Species: 9606 (Homo sapiens) [Search protein sequence]
MASMTGGQQMGRGSNEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGA
HVVVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKL
MGGLDMLILNHITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLK
QSNGSIVVVSSLAGKVAYPMVAAYSASKFALDGFFSSIRKEYSVSRVNVS
ITLCVLGLIDTETAMKAVSGIVHMQAAPKEECALEIIKGGALRQEEVYYD
SSRWTTLLIRNPCRKILEELYSTSY
3D structure
PDB4ijw Optimization of 1,2,4-Triazolopyridines as Inhibitors of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ChainD
Resolution2.35 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) S161 Y174 K178
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 G32 S34 K35 G36 I37 R57 S58 T83 M84 N110 I112 V159 S161 Y174 K178 L206 G207 I209 T211 T213 A214
BS02 1EQ D S170 Y177 V180 Y183 L217 A223 S161 Y168 V171 Y174 L208 A214 MOAD: ic50=1.6nM
BindingDB: IC50=1.6nM
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:4ijw, PDBe:4ijw, PDBj:4ijw
PDBsum4ijw
PubMed25050169
UniProtP28845|DHI1_HUMAN 11-beta-hydroxysteroid dehydrogenase 1 (Gene Name=HSD11B1)

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