Structure of PDB 6ko7 Chain C Binding Site BS01

Receptor Information
>6ko7 Chain C (length=186) 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]
SEDKKQALLEAATQAIAQSGIAASTAVIARNAGVAEGTLFRYFATKDELI
NTLYLHLKQDLCQSMIMELDRSITDAKMMTRFIWNSYISWGLNHPARHRA
IRQLAVSEKLTKETEQRADDMFPELRDLCHRSVLMVFMSDEYRAFGDGLF
LALAETTMDFAARDPARAGEYIALGFEAMWRALTRE
Ligand information
Ligand IDET
InChIInChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
InChIKeyQTANTQQOYSUMLC-UHFFFAOYSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
CACTVS 3.341CC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4
ACDLabs 10.04c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CC)N
FormulaC21 H20 N3
NameETHIDIUM
ChEMBLCHEMBL48166
DrugBankDB17031
ZINCZINC000000119632
PDB chain6ko7 Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ko7 Development of a structure determination method using a multidrug-resistance regulator protein as a framework.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		T85 I88 W89 L130 C134 D152 F155 M184 T189
Binding residue
(residue number reindexed from 1)		T80 I83 W84 L125 C129 D147 F150 M179 T184
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003723 RNA binding

View graph for
Molecular Function
External links
PDB RCSB:6ko7, PDBe:6ko7, PDBj:6ko7
PDBsum6ko7
PubMed31431261
UniProtQ8ZR43|HTHTR_SALTY Transcriptional regulator RamR (Gene Name=ramR)

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