Structure of PDB 3vvz Chain D Binding Site BS01

Receptor Information

>3vvz Chain D (length=184) Species: 588858 (Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S)

DKKQALLEAATQAIAQSGIAASTAVIARNAGVAEGTLFRYFATKDELINT
LYLHLKQDLCQSMIMELDRSITDAKMMTRFIWNSYISWGLNHPARHRAIR
QLAVSEKLTKETEQRADDMFPELRDLCHRSVLMVFMSDEYRAFGDGLFLA
LAETTMDFAARDPARAGEYIALGFEAMWRALTRE

Ligand information

• Ligand ID: RHQ
• InChI: InChI=1S/C28H30N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29H,6-8H2,1-5H3/p+1/b30-24-
• InChIKey: IWWWBRIIGAXLCJ-KRUMMXJUSA-O
• SMILES:
  OpenEye OEToolkits 1.7.5: CCNc1cc2c(cc1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)c4ccccc4C(=O)OCC
  CACTVS 3.385: CCNc1cc2OC3=CC(=[NH+]CC)C(=CC3=C(c4ccccc4C(=O)OCC)c2cc1C)C
  ACDLabs 10.04: O=C(OCC)c4ccccc4C=1c3c(OC=2C=1C=C(\C(=[NH+]/CC)C=2)C)cc(c(c3)C)NCC
  OpenEye OEToolkits 1.7.5: CCNc1cc2c(cc1C)C(=C3C=C(/C(=[NH+]\CC)/C=C3O2)C)c4ccccc4C(=O)OCC
• Formula: C28 H31 N2 O3
• Name: RHODAMINE 6G
• PDB chain: 3vvz Chain D Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3vvz The crystal structure of multidrug-resistance regulator RamR with multiple drugs
• Resolution: 2.51 Å
• Binding residue (original residue number in PDB): L66 T85 W89 I106 D124 L130 C134 R148 G151 D152 F155
• Binding residue (residue number reindexed from 1): L59 T78 W82 I99 D117 L123 C127 R141 G144 D145 F148
• Annotation score: 1

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

External links

• PDB: RCSB:3vvz, PDBe:3vvz, PDBj:3vvz
• PDBsum: 3vvz
• PubMed: 23800819
• UniProt: A0A0F6AY66