Structure of PDB 4zqd Chain B Binding Site BS01

Receptor Information
>4zqd Chain B (length=289) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRSKETEVFYELAHELPLPHSVSSHLDKASIMRLAISFLRTHKLLSSVCS
MDNLYLKALEGFIAVVTQDGDMIFLSENISKFMGLTQVELTGHSIFDFTH
PCDHEEIRENLTLSTERDFFMRMKCTVTVNLKSATWKVLHCTGQVRVSCL
IIMCEPIQHPSHMDIPLDSKTFLSRHSMDMKFTYCDDRILELIGYHPEEL
LGRSAYEFYHALDSENMTKSHQNLCTKGQVVSGQYRMLAKHGGYVWLETQ
GTVIYNPRNLQPQCIMCVNYVLSEIEKNDVVFSMDQTES
Ligand information
Ligand ID0X3
InChIInChI=1S/C12H6ClFN4O3/c13-6-3-7(14)5-8(4-6)15-10-2-1-9-11(17-21-16-9)12(10)18(19)20/h1-5,15H
InChIKeyCDQUJZKBRAFWNG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(c2c1non2)[N+](=O)[O-])Nc3cc(cc(c3)Cl)F
CACTVS 3.370[O-][N+](=O)c1c(Nc2cc(F)cc(Cl)c2)ccc3nonc13
ACDLabs 12.01Fc1cc(cc(Cl)c1)Nc2ccc3nonc3c2[N+]([O-])=O
FormulaC12 H6 Cl F N4 O3
NameN-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
ChEMBLCHEMBL2311933
DrugBank
ZINCZINC000095596639
PDB chain4zqd 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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PDB4zqd Structural integration in hypoxia-inducible factors.
Resolution2.87 Å
Binding residue
(original residue number in PDB)		F244 H248 M252 F254 A277 Y281 Y307 T321 C339 N341
Binding residue
(residue number reindexed from 1)		F172 H176 M180 F182 A205 Y209 Y235 T249 C267 N269
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:4zqd, PDBe:4zqd, PDBj:4zqd
PDBsum4zqd
PubMed26245371
UniProtP97481|EPAS1_MOUSE Endothelial PAS domain-containing protein 1 (Gene Name=Epas1)

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