Structure of PDB 6e3s Chain B Binding Site BS01

Receptor Information
>6e3s Chain B (length=290) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKETEVFYELAHELPLPHSVSSHLDKASIMRLAISFLRTHKLLSSVCDNL
YLKALEGFIAVVTQDGDMIFLSENISKFMGLTQVELTGHSIFDFTHPCDH
EEIRENLTLSTERDFFMRMKCTVTNRGRTVNLKSATWKVLHCTGQVRVLS
CLIIMCEPIQHPSHMDIPLDSKTFLSRHSMDMKFTYCDDRILELIGYHPE
ELLGRSAYEFYHALDSENMTKSHQNLCTKGQVVSGQYRMLAKHGGYVALE
TQGTVIYNPRNLQPQCIMCVNYVLSEIEKNDVVFSMDQTE
Ligand information
Ligand ID79A
InChIInChI=1S/C17H12F3NO4S/c1-26(23,24)14-3-2-13(12-7-17(19,20)16(22)15(12)14)25-11-5-9(8-21)4-10(18)6-11/h2-6,16,22H,7H2,1H3/t16-/m0/s1
InChIKeyONBSHRSJOPSEGS-INIZCTEOSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[S](=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c3CC(F)(F)[C@@H](O)c13
CACTVS 3.385C[S](=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c3CC(F)(F)[CH](O)c13
OpenEye OEToolkits 2.0.6CS(=O)(=O)c1ccc(c2c1[C@@H](C(C2)(F)F)O)Oc3cc(cc(c3)F)C#N
OpenEye OEToolkits 2.0.6CS(=O)(=O)c1ccc(c2c1C(C(C2)(F)F)O)Oc3cc(cc(c3)F)C#N
ACDLabs 12.01N#Cc1cc(cc(c1)F)Oc2ccc(c3c2CC(C3O)(F)F)S(C)(=O)=O
FormulaC17 H12 F3 N O4 S
Name3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile;
PT2385
ChEMBLCHEMBL4173075
DrugBankDB16055
ZINCZINC000230453533
PDB chain6e3s 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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PDB6e3s Bidirectional modulation of HIF-2 activity through chemical ligands.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		F244 H248 M252 F254 A277 F280 Y281 H293 M309 T321 G323 I337 C339 N341
Binding residue
(residue number reindexed from 1)		F174 H178 M182 F184 A207 F210 Y211 H223 M239 T251 G253 I267 C269 N271
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:6e3s, PDBe:6e3s, PDBj:6e3s
PDBsum6e3s
PubMed30804532
UniProtP97481|EPAS1_MOUSE Endothelial PAS domain-containing protein 1 (Gene Name=Epas1)

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