Structure of PDB 3vw2 Chain A Binding Site BS01

Receptor Information
>3vw2 Chain A (length=184) Species: 588858 (Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKKQALLEAATQAIAQSGIAASTAVIARNAGVAEGTLFRYFATKDELINT
LYLHLKQDLCQSMIMELDRSITDAKMMTRFIWNSYISWGLNHPARHRAIR
QLAVSEKLTKETEQRADDMFPELRDLCHRSVLMVFMSDEYRAFGDGLFLA
LAETTMDFAARDPARAGEYIALGFEAMWRALTRE
Ligand information
Ligand IDBER
InChIInChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
InChIKeyYBHILYKTIRIUTE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5
ACDLabs 10.04O1c2c(OC1)cc5c(c2)c4cc3ccc(OC)c(OC)c3c[n+]4CC5
CACTVS 3.341COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC
FormulaC20 H18 N O4
NameBERBERINE
ChEMBLCHEMBL295124
DrugBankDB04115
ZINCZINC000003779067
PDB chain3vw2 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3vw2 The crystal structure of multidrug-resistance regulator RamR with multiple drugs
Resolution2.34 Å
Binding residue
(original residue number in PDB)		T85 C134 V138 D152 F155 L156 M184
Binding residue
(residue number reindexed from 1)		T78 C127 V131 D145 F148 L149 M177
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.75,Kd=17.9uM
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:3vw2, PDBe:3vw2, PDBj:3vw2
PDBsum3vw2
PubMed23800819
UniProtA0A0F6AY66

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