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Receptor Information

>7n54 Chain B (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]

DKKQALLEAATQAIAQSGIAASTAVIARNAGVAEGTLFRYFATKDELINT
LYLHLTQDWCQSIIMELDRSITDAKMMTRFLWNSWISWGLNHPARHRAIR
QLAVSEKLTKETEQRADDMFPELRDHLHRNVLMVFMSDEYRAFGDGLFLA
LAETTMDFAARDPARAGEYIALGFEAMWRALARE

Ligand ID

08V

InChI

InChI=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

InChIKey

RUZIUYOSRDWYQF-HNNXBMFYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1CCc2cc(c(c-3c2[C@@H]1Cc4c3cc(c(c4)OC)OC)OC)OC
CACTVS 3.385	COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34
OpenEye OEToolkits 2.0.7	CN1CCc2cc(c(c-3c2C1Cc4c3cc(c(c4)OC)OC)OC)OC
CACTVS 3.385	COc1cc2C[CH]3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34
ACDLabs 12.01	COc1cc2c(CC3c4c(CCN3C)cc(OC)c(OC)c24)cc1OC

Formula

C21 H25 N O4

Name

glaucine;
(6aS,11aM)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

PDB chain

7n54 Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7n54 Using fungible biosensors to evolve improved alkaloid biosyntheses.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	W66 L88 W92 L134 V138 D152 F155 M184 L188
Binding residue (residue number reindexed from 1)	W59 L81 W85 L127 V131 D145 F148 M177 L181
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0003677	DNA binding
GO:0003723	RNA binding

PDB	RCSB:7n54, PDBe:7n54, PDBj:7n54
PDBsum	7n54
PubMed	35799063
UniProt	Q8ZR43\|HTHTR_SALTY Transcriptional regulator RamR (Gene Name=ramR)

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Structure of PDB 7n54 Chain B Binding Site BS01