BioLiP

Structure of PDB 4k26 Chain B

Receptor sequence

>4k26B (length=265) Species: 10090 (Mus musculus) [Search protein sequence]

EEFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAHVVLTARSEEGLQKV
VSRCLELGAASAHYIAGTMEDMTFAEQFIVKAGKLMGGLDMLILNHITQT
SLSLFHDDIHSVRRVMEVNFLSYVVMSTAALPMLKQSNGSIAVISSLAGK
MTQPMIAPYSASKFALDGFFSTIRTELYITKVNVSITLCVLGLIDTETAM
KEISGIINAQASPKEECALEIIKGTALRKSEVYYDKSPLTPILLGNPGRK
IMEFFSLRYYNKDMF

3D structure

PDB

4k26 1,1-Dioxo-5,6-dihydro-[4,1,2]oxathiazines, a novel class of 11-HSD1 inhibitors for the treatment of diabetes.

Chain

Resolution

2.21 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)	S146 Y159 K163
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	SFF	B	I121 S170 L171 A172 Q177 Y183 I227 I231	I97 S146 L147 A148 Q153 Y159 I203 I207	MOAD: ic50=1.22uM
BS02	NDP	B	G41 S43 K44 G45 I46 R66 S67 T92 M93 N119 I121 I168 S170 Y183 K187 L215 G216 L217 I218 T220 T222 A223	G17 S19 K20 G21 I22 R42 S43 T68 M69 N95 I97 I144 S146 Y159 K163 L191 G192 L193 I194 T196 T198 A199

Gene Ontology

	Molecular Function
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

	Biological Process
GO:0008202	steroid metabolic process
GO:0030324	lung development

	Cellular Component
GO:0005783	endoplasmic reticulum
GO:0005789	endoplasmic reticulum membrane
GO:0016020	membrane

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Molecular Function

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Biological Process

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Cellular Component

PDB	RCSB:4k26, PDBe:4k26, PDBj:4k26
PDBsum	4k26
PubMed	23845218
UniProt	P50172\|DHI1_MOUSE 11-beta-hydroxysteroid dehydrogenase 1 (Gene Name=Hsd11b1)