Structure of PDB 1qvu Chain A Binding Site BS02
Receptor Information
>1qvu Chain A (length=186) Species:
1280
(Staphylococcus aureus) [
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NLKDKILGVAKELFIKNGYNATTTGEIVKLSESSKGNLYYHFKTKENLFL
EILNIEESKWQEQWKKEQIKCKTNREKFYLYNELSLTTEYYYPLQNAIIE
FYTEYYKTNSINEKMNKLENKYIDAYHVIFKEGNLNGEWSINDVNAVSKI
AANAVNGIVTFTHEQNINERIKLMNKFSQIFLNGLS
Ligand information
Ligand ID
PRL
InChI
InChI=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
InChIKey
WDVSHHCDHLJJJR-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
n1c3c(cc2c1cc(N)cc2)ccc(c3)N
CACTVS 3.341
Nc1ccc2cc3ccc(N)cc3nc2c1
OpenEye OEToolkits 1.5.0
c1cc(cc2c1cc3ccc(cc3n2)N)N
Formula
C13 H11 N3
Name
PROFLAVIN
ChEMBL
CHEMBL55400
DrugBank
DB01123
ZINC
ZINC000003775644
PDB chain
1qvu Chain A Residue 196 [
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Receptor-Ligand Complex Structure
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PDB
1qvu
Structural mechanism of the simultaneous binding of two drugs to a multidrug-binding protein
Resolution
2.96 Å
Binding residue
(original residue number in PDB)
E58 T89 E90 Y93 Y103
Binding residue
(residue number reindexed from 1)
E57 T88 E89 Y92 Y102
Annotation score
1
Binding affinity
PDBbind-CN
: -logKd/Ki=4.46,Kd=35uM
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0003677
DNA binding
GO:0003700
DNA-binding transcription factor activity
Biological Process
GO:0045892
negative regulation of DNA-templated transcription
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:1qvu
,
PDBe:1qvu
,
PDBj:1qvu
PDBsum
1qvu
PubMed
15257299
UniProt
P0A0N4
|QACR_STAAU HTH-type transcriptional regulator QacR (Gene Name=qacR)
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