Structure of PDB 6zt2 Chain A Binding Site BS03

Receptor Information
>6zt2 Chain A (length=252) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRYAGKVVVVTGGGRGIGAGIVRAFVNSGARVVICDKDESGGRALEQELP
GAVFILCDVTQEDDVKTLVSETIRRFGRLDCVVNNAGHHPPPQRPEETSA
QGFRQLLELNLLGTYTLTKLALPYLRKSQGNVINISSLVGAIGQAQAVPY
VATKGAVTAMTKALALDESPYGVRVNCISPGNIWTPLWEELAALMPDPRA
SIREGMLAQPLGRMGQPAEVGAAAVFLASEANFCTGIELLVTGGAELGYG
CK
Ligand information
Ligand IDQPK
InChIInChI=1S/C6H3ClF2O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
InChIKeyCCLYWHXHYLQWQK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(c(c1F)O)F)Cl
CACTVS 3.385Oc1c(F)ccc(Cl)c1F
FormulaC6 H3 Cl F2 O
Name3-chloranyl-2,6-bis(fluoranyl)phenol
ChEMBL
DrugBank
ZINCZINC000002381671
PDB chain6zt2 Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zt2 17beta-hydroxysteroid dehydrogenase type 14 variant S205 in complex with 3-chloro-2,6-difluorophenol
Resolution1.95 Å
Binding residue
(original residue number in PDB)		H93 S141 Y154 N186 W192
Binding residue
(residue number reindexed from 1)		H89 S137 Y150 N182 W188
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.62: 17beta-estradiol 17-dehydrogenase.
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6zt2, PDBe:6zt2, PDBj:6zt2
PDBsum6zt2
PubMed
UniProtQ9BPX1|DHB14_HUMAN 17-beta-hydroxysteroid dehydrogenase 14 (Gene Name=HSD17B14)

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