Structure of PDB 5o6o Chain A

Receptor sequence

>5o6oA (length=256) Species: 9606 (Homo sapiens)

GTRYAGKVVVVTGGGRGIGAGIVRAFVNSGARVVICDKDESGGRALEQEL
PGAVFILCDVTQEDDVKTLVSETIRRFGRLDCVVNNAGHHPPPQRPEETS
AQGFRQLLELNLLGTYTLTKLALPYLRKSQGNVINISSLVGAIGQAQAVP
YVATKGAVTAMTKALALDESPYGVRVNCISPGNIWTPLWEELAALMPDPR
ATIREGMLAQPLGRMGQPAEVGAAAVFLASEANFCTGIELLVTGGAELGY
GCKPDI

3D structure

• PDB: 5o6o Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
• Chain: A
• Resolution: 1.45 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): G20 S141 Y154 K158
• Catalytic site (residue number reindexed from 1): G17 S138 Y151 K155
• 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 L113 S141 Y154 K158 P184 G185 N186 I187 T189 L191	G13 R16 G17 I18 D37 K38 D59 V60 N86 L110 S138 Y151 K155 P181 G182 N183 I184 T186 L188
BS02	BGC	A	W188 T189 P190 E193	W185 T186 P187 E190
BS03	9MB	A	H93 S141 Q148 A149 Q150 Y154 N186 W192 L195	H90 S138 Q145 A146 Q147 Y151 N183 W189 L192	MOAD: Ki=58nM BindingDB: Ki=58nM

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:5o6o, PDBe:5o6o, PDBj:5o6o
• PDBsum: 5o6o
• PubMed: 29859505
• UniProt: Q9BPX1|DHB14_HUMAN 17-beta-hydroxysteroid dehydrogenase 14 (Gene Name=HSD17B14)