Structure of PDB 4zph Chain A Binding Site BS01

Receptor Information
>4zph Chain A (length=254) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERRRRNKMTAYITELSDMVPTCSALARKPDKLTILRMAVSHMKSLTDQEL
KHLILEAADGFLFIVSCETGRVVYVSDSVTPVLNQPQSEWFGSTLYDQVH
PDDVDKLREQLSTSRRSFICRMRCPHFVVVHCTGYIKAFCLVAIGRLQVP
TEFISRHNIEGIFTFVDHRCVATVGYQPQELLGKNIVEFCHPEDQQLLRD
SFQQVVKLKGQVLSVMFRFRSKTREWLWMRTSSFTFQNPYSDEIEYIICT
NTNV
Ligand information
Ligand IDPRL
InChIInChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
InChIKeyWDVSHHCDHLJJJR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04n1c3c(cc2c1cc(N)cc2)ccc(c3)N
CACTVS 3.341Nc1ccc2cc3ccc(N)cc3nc2c1
OpenEye OEToolkits 1.5.0c1cc(cc2c1cc3ccc(cc3n2)N)N
FormulaC13 H11 N3
NamePROFLAVIN
ChEMBLCHEMBL55400
DrugBankDB01123
ZINCZINC000003775644
PDB chain4zph Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zph Structural integration in hypoxia-inducible factors.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R266 V305
Binding residue
(residue number reindexed from 1)		R121 V129
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=7.51,Kd=31nM
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:4zph, PDBe:4zph, PDBj:4zph
PDBsum4zph
PubMed26245371
UniProtP53762|ARNT_MOUSE Aryl hydrocarbon receptor nuclear translocator (Gene Name=Arnt)

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