Structure of PDB 6e3u Chain B Binding Site BS01

Receptor Information
>6e3u Chain B (length=292) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKETEVFYELAHELPLPHSVSSHLDKASIMRLAISFLRTHKLLSSVCSMD
NLYLKALEGFIAVVTQDGDMIFLSENISKFMGLTQVELTGHSIFDFTHPC
DHEEIRENLTLSTERDFFMRMKCTVTNRGRTVNLKSATWKVLHCTGQVRV
LSCLIIMCEPIQHPSHMDIPLDSKTFLSRHSMDMKFTYCDDRILELIGYH
PEELLGRSAYEFYHALDSENMTKSHQNLCTKGQVVSGQYRMLAKHGGYVA
LETQGTVIYNPRNLQPQCIMCVNYVLSEIEKNDVVFSMDQTE
Ligand information
Ligand IDHNJ
InChIInChI=1S/C17H17N3O2S/c21-23(22)16-10-4-1-7-13(16)17(19-23)18-14-8-2-3-9-15(14)20-11-5-6-12-20/h1-4,7-10H,5-6,11-12H2,(H,18,19)
InChIKeyLONXCUOJVJLTIP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccc3N4CCCC4
ACDLabs 12.01C1CN(CC1)c2c(cccc2)NC=4c3c(cccc3)S(=O)(=O)N=4
CACTVS 3.385O=[S]1(=O)N=C(Nc2ccccc2N3CCCC3)c4ccccc14
FormulaC17 H17 N3 O2 S
Name3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione;
(3-Chloro-Phenyl)-acetic acid (S)-1-(2-tert-butoxycarbonylamino-acetyl)-pyrrolidin-2-ylmethyl ester
ChEMBL
DrugBank
ZINCZINC000005269294
PDB chain6e3u Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6e3u Bidirectional modulation of HIF-2 activity through chemical ligands.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		M252 F254 A277 Y278 Y281 M289 L296 Y307 M309 T321 N341
Binding residue
(residue number reindexed from 1)		M184 F186 A209 Y210 Y213 M221 L228 Y239 M241 T253 N273
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6e3u, PDBe:6e3u, PDBj:6e3u
PDBsum6e3u
PubMed30804532
UniProtP97481|EPAS1_MOUSE Endothelial PAS domain-containing protein 1 (Gene Name=Epas1)

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