Structure of PDB 3fco Chain A

Receptor sequence
>3fcoA (length=267) Species: 9606 (Homo sapiens) [Search protein sequence]
QPLNEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHVVVTARSKET
LQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNH
ITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSS
LAGKVAYPMVAAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDT
ETAMKAVSGHMQAAPKEECALEIIKGGALRQEEVYYDSSLWTTLLIRNPS
RKILEFLYSTSYNMDRF
3D structure
PDB3fco Optimization of novel di-substituted cyclohexylbenzamide derivatives as potent 11 beta-HSD1 inhibitors.
ChainA
Resolution2.65 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) S150 Y163 K167
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 A G41 S43 K44 G45 I46 A65 R66 S67 T92 M93 N119 I121 V168 S169 S170 Y183 K187 L215 L217 I218 T220 T222 G21 S23 K24 G25 I26 A45 R46 S47 T72 M73 N99 I101 V148 S149 S150 Y163 K167 L195 L197 I198 T200 T202
BS02 IIG A T124 L126 S170 Y183 A226 T104 L106 S150 Y163 A206 BindingDB: IC50=52nM
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:3fco, PDBe:3fco, PDBj:3fco
PDBsum3fco
PubMed19185488
UniProtP28845|DHI1_HUMAN 11-beta-hydroxysteroid dehydrogenase 1 (Gene Name=HSD11B1)

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