Structure of PDB 6gtu Chain A

Receptor sequence

>6gtuA (length=268) Species: 9606 (Homo sapiens)

GTRYAGKVVVVTGGGRGIGAGIVRAFVNSGARVVICDKDESGGRALEQEL
PGAVFILCDVTQEDDVKTLVSETIRRFGRLDCVVNNAGHHPPPQRPEETS
AQGFRQLLELNLLGTYTLTKLALPYLRKSQGNVINISSLVGAIGQAQAVP
YVATKGAVTAMTKALALDESPYGVRVNCISPGNIWTPLWEELAALMPDPR
ATIREGMLAQPLGRMGQPAEVGAAAVFLASEANFCTGIELLVTGGAELGY
GCKASRSTPVDAPDIPSG

3D structure

• PDB: 6gtu X-ray Crystallographic Fragment screening and Hit Optimization
• Chain: A
• Resolution: 2.25 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 N89 A90 G91 L113 S141 Y154 K158 G185 I187 T189 L191	G13 R16 G17 I18 D37 K38 D59 N86 A87 G88 L110 S138 Y151 K155 G182 I184 T186 L188
BS02	45N	A	N186 K256	N183 K253

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:6gtu, PDBe:6gtu, PDBj:6gtu
• PDBsum: 6gtu
• UniProt: Q9BPX1|DHB14_HUMAN 17-beta-hydroxysteroid dehydrogenase 14 (Gene Name=HSD17B14)