Structure of PDB 5l7y Chain A

Receptor sequence

>5l7yA (length=256) Species: 9606 (Homo sapiens)

GTRYAGKVVVVTGGGRGIGAGIVRAFVNSGARVVICDKDESGGRALEQEL
PGAVFILCDVTQEDDVKTLVSETIRRFGRLDCVVNNAGHHPPPQRPEETS
AQGFRQLLELNLLGTYTLTKLALPYLRKSQGNVINISSLVGAIGQAQAVP
YVATKGAVTAMTKALALDESPYGVRVNCISPGNIWTPLWEELAALMPDPR
ATIREGMLAQPLGRMGQPAEVGAAAVFLASEANFCTGIELLVTGGAELGY
GCKPSG

3D structure

• PDB: 5l7y First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme.
• Chain: A
• Resolution: 1.912 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): G20 S141 A151 Y154 K158
• Catalytic site (residue number reindexed from 1): G17 S138 A148 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 I139 Y154 K158 P184 G185 I187 T189 L191	G13 R16 G17 I18 D37 K38 D59 V60 N86 L110 I136 Y151 K155 P181 G182 I184 T186 L188
BS02	6QO	A	R27 G45 A48	R24 G42 A45	BindingDB: Ki=13nM
BS03	6QO	A	H93 S141 Q148 A149 Y154 N186 W192 L195	H90 S138 Q145 A146 Y151 N183 W189 L192	BindingDB: Ki=13nM

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:5l7y, PDBe:5l7y, PDBj:5l7y
• PDBsum: 5l7y
• PubMed: 27933965
• UniProt: Q9BPX1|DHB14_HUMAN 17-beta-hydroxysteroid dehydrogenase 14 (Gene Name=HSD17B14)