Structure of PDB 7n54 Chain C Binding Site BS01

Receptor Information
>7n54 Chain C (length=184) Species: 90371 (Salmonella enterica subsp. enterica serovar Typhimurium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDKKQALLEAATQAIAQSGIAASTAVIARNAGVAEGTLFRYFATKDELIN
TLYLHLTQDWCQSIIMELDRSITDAKMMTRFLWNSWISWGLNHPARHRAI
RQLAVSEKLTKETEQRADDMFPELRDHLHRNVLMVFMSDEYRAFGDGLFL
ALAETTMDFAARDPARAGEYIALGFEAMWRALAR
Ligand information
Ligand ID08V
InChIInChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1
InChIKeyRUZIUYOSRDWYQF-HNNXBMFYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1CCc2cc(c(c-3c2[C@@H]1Cc4c3cc(c(c4)OC)OC)OC)OC
CACTVS 3.385COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34
OpenEye OEToolkits 2.0.7CN1CCc2cc(c(c-3c2C1Cc4c3cc(c(c4)OC)OC)OC)OC
CACTVS 3.385COc1cc2C[CH]3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34
ACDLabs 12.01COc1cc2c(CC3c4c(CCN3C)cc(OC)c(OC)c24)cc1OC
FormulaC21 H25 N O4
Nameglaucine;
(6aS,11aM)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
ChEMBLCHEMBL228082
DrugBank
ZINCZINC000000607911
PDB chain7n54 Chain C Residue 202 [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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PDB7n54 Using fungible biosensors to evolve improved alkaloid biosyntheses.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		W66 L88 W92 L134 V138 G151 D152 F155 M184 L188
Binding residue
(residue number reindexed from 1)		W60 L82 W86 L128 V132 G145 D146 F149 M178 L182
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:7n54, PDBe:7n54, PDBj:7n54
PDBsum7n54
PubMed35799063
UniProtQ8ZR43|HTHTR_SALTY Transcriptional regulator RamR (Gene Name=ramR)

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