Structure of PDB 6e3t Chain B Binding Site BS01

Receptor Information
>6e3t Chain B (length=281) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETEVFYELAHELPHSVSSHLDKASIMRLAISFLRTHKLLSSVCDNLYLKA
LEGFIAVVTQDGDMIFLSENISKFMGLTQVELTGHSIFDFTHPCDHEEIR
ENLTLSTERDFFMRMKCTVTNRTVNLKSATWKVLHCTGQVRVLSCLIIMC
EPIQHPSHMDIPLDSKTFLSRHSMDMKFTYCDDRILELIGYHPEELLGRS
AYEFYHALDSENMTKSHQNLCTKGQVVSGQYRMLAKHGGYVWLETQGTVI
YNPRNLQPQCIMCVNYVLSEIEKNDVVFSMD
Ligand information
Ligand IDHO7
InChIInChI=1S/C11H11BrN2S/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h1-4,10H,5-7H2/t10-/m1/s1
InChIKeyHTHGAIADRJRJOY-SNVBAGLBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1[C@H]2CN3CCSC3=N2)Br
CACTVS 3.385Brc1ccc(cc1)[CH]2CN3CCSC3=N2
OpenEye OEToolkits 2.0.6c1cc(ccc1C2CN3CCSC3=N2)Br
CACTVS 3.385Brc1ccc(cc1)[C@H]2CN3CCSC3=N2
ACDLabs 12.01c3c(C2CN1CCSC1=N2)ccc(c3)Br
FormulaC11 H11 Br N2 S
Name(6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
ChEMBLCHEMBL1527442
DrugBank
ZINCZINC000000056495
PDB chain6e3t Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6e3t Bidirectional modulation of HIF-2 activity through chemical ligands.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		F244 H248 Y281 Y307 M309 L319 T321 C339 N341
Binding residue
(residue number reindexed from 1)		F168 H172 Y205 Y231 M233 L243 T245 C263 N265
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003700 DNA-binding transcription factor activity
GO:0046983 protein dimerization activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
Cellular Component
GO:0005634 nucleus
GO:0005667 transcription regulator complex
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6e3t, PDBe:6e3t, PDBj:6e3t
PDBsum6e3t
PubMed30804532
UniProtP97481|EPAS1_MOUSE Endothelial PAS domain-containing protein 1 (Gene Name=Epas1)

[Back to BioLiP]