Structure of PDB 3gmd Chain C

Receptor sequence

>3gmdC (length=264) Species: 10090 (Mus musculus)

EFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAHVVLTARSEEGLQKVV
SRCLELGAASAHYIAGTMEDMTFAEQFIVKAGKLMGGLDMLILNHITQTS
LSLFHDDIHSVRRVMEVNFLSYVVMSTAALPMLKQSNGSIAVISSLAGKV
TYPMVAPYSASKFALDGFFSTIRTELYITKVNVSITLCVLGLIDTETAMK
AVSGIVNAQASPKEECALEIIKGTALRKSEVYYDKSPLTPILLGNPGRKI
MEFFSLRYYNKDMF

3D structure

• PDB: 3gmd Structure-based design of 7-azaindole-pyrrolidine amides as inhibitors of 11 beta-hydroxysteroid dehydrogenase type I.
• Chain: C
• Resolution: 2.28 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): S170 Y183 K187
• Catalytic site (residue number reindexed from 1): S145 Y158 K162
• 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	C	G41 S43 K44 G45 I46 R66 S67 T92 M93 N119 I121 I168 S170 K187 L215 G216 I218 T220 T222 A223	G16 S18 K19 G20 I21 R41 S42 T67 M68 N94 I96 I143 S145 K162 L190 G191 I193 T195 T197 A198
BS02	2M3	C	T124 S170 Y177 Y183 G216 T222 A223 A226	T99 S145 Y152 Y158 G191 T197 A198 A201

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

External links

• PDB: RCSB:3gmd, PDBe:3gmd, PDBj:3gmd
• PDBsum: 3gmd
• PubMed: 22901389
• UniProt: P50172|DHI1_MOUSE 11-beta-hydroxysteroid dehydrogenase 1 (Gene Name=Hsd11b1)