Structure of PDB 3hth Chain A Binding Site BS01

Receptor Information
>3hth Chain A (length=171) Species: 1916 (Streptomyces lividans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PERRQRIIDAAIRVVGQKGIAGLSHRTVAAEADVPLGSTTYHFATLDDLM
VAALRQANEGFARVVAAHPALSDPEADLSGELARVLGEWLGGDRTGVELE
YELYLAALRRPALRPVAAEWAEGVGALLAARTDPTTARALVAVLDGICLQ
VLLTDTPYDEEYAREVLTRLI
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 chain3hth Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hth Structural plasticity is key to multiple ligand binding by the multidrug binding regulator EbrR
Resolution2.7 Å
Binding residue
(original residue number in PDB)		F67 W95 E106 Y107 Y110 W126 D151
Binding residue
(residue number reindexed from 1)		F61 W89 E100 Y101 Y104 W120 D145
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000976 transcription cis-regulatory region binding
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription

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Molecular Function
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Biological Process
External links
PDB RCSB:3hth, PDBe:3hth, PDBj:3hth
PDBsum3hth
PubMed
UniProtQ79SH7

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