Structure of PDB 5o6x Chain A

Receptor sequence

>5o6xA (length=253) Species: 9606 (Homo sapiens)

TRYAGKVVVVTGGGRGIGAGIVRAFVNSGARVVICDKDESGGRALEQELP
GAVFILCDVTQEDDVKTLVSETIRRFGRLDCVVNNAGHHPPPQRPEETSA
QGFRQLLELNLLGTYTLTKLALPYLRKSQGNVINISSLVGAIGQAQAVPY
VATKGAVTAMTKALALDESPYGVRVNCISPGNIWTPLWEELAALMPDPRA
TIREGMLAQPLGRMGQPAEVGAAAVFLASEANFCTGIELLVTGGAELGYA
PDI

3D structure

• PDB: 5o6x Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
• Chain: A
• Resolution: 1.35 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): G20 S141 Y154 K158
• Catalytic site (residue number reindexed from 1): G16 S137 Y150 K154
• Enzyme Commision number: 1.1.1.62: 17beta-estradiol 17-dehydrogenase.

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	NAD	A	G16 R19 G20 I21 D40 K41 D62 V63 N89 G91 L113 S141 Y154 K158 P184 G185 I187 T189 L191	G12 R15 G16 I17 D36 K37 D58 V59 N85 G87 L109 S137 Y150 K154 P180 G181 I183 T185 L187
BS02	BGC	A	W188 T189 P190 E193	W184 T185 P186 E189
BS03	9MK	A	H93 S141 L142 V143 Q148 G185 N186 W192 L195	H89 S137 L138 V139 Q144 G181 N182 W188 L191	MOAD: Ki=6nM BindingDB: Ki=6.0nM

Gene Ontology

Molecular Function

• GO:0004303 estradiol 17-beta-dehydrogenase [NAD(P)+] activity
• GO:0005515 protein binding
• GO:0016491 oxidoreductase activity
• GO:0042802 identical protein binding
• GO:0047045 testosterone 17-beta-dehydrogenase (NADP+) activity

Biological Process

• GO:0006706 steroid catabolic process
• GO:0008202 steroid metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:5o6x, PDBe:5o6x, PDBj:5o6x
• PDBsum: 5o6x
• PubMed: 29859505
• UniProt: Q9BPX1|DHB14_HUMAN 17-beta-hydroxysteroid dehydrogenase 14 (Gene Name=HSD17B14)