Structure of PDB 5sux Chain A Binding Site BS01

Receptor Information

>5sux Chain A (length=267) Species: 666 (Vibrio cholerae)

KSFQTNVYRMSKFDTYIFNNLYINDYKMFWIDSGIAKLIDKNCLVSYEIN
SSSIILLKKNSIQRFSLTSLSDENINVSVITISDSFIRSLKSYILGDLMI
RNLYSENKDLLLWNCEHNDIAVLSEVVNGFREINYSDEFLKVFFSGFFSK
VEKKYNSIFITDDLDAMEKISCLVKSDITRNWRWADICGELRTNRMILKK
ELESRGVKFRELINSIRISYSISLMKTGEFKIKQIAYQSGFASVSYFSTV
FKSTMNVAPSEYLFMLT

Ligand information

• Ligand ID: 70H
• InChI: InChI=1S/C15H14O2/c1-11-5-2-6-12-7-3-8-13(15(11)12)9-4-10-14(16)17/h2-9H,10H2,1H3,(H,16,17)/b9-4+
• InChIKey: FALDQPGQWAZNKV-RUDMXATFSA-N
• SMILES:
  OpenEye OEToolkits 2.0.5: Cc1cccc2c1c(ccc2)C=CCC(=O)O
  CACTVS 3.385: Cc1cccc2cccc(\C=C\CC(O)=O)c12
  OpenEye OEToolkits 2.0.5: Cc1cccc2c1c(ccc2)/C=C/CC(=O)O
  CACTVS 3.385: Cc1cccc2cccc(C=CCC(O)=O)c12
  ACDLabs 12.01: [C@H](CC(O)=O)=Cc2c1c(C)cccc1ccc2
• Formula: C15 H14 O2
• Name: (3E)-4-(8-methylnaphthalen-1-yl)but-3-enoic acid
• PDB chain: 5sux Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5sux Crystal Structure of ToxT from Vibrio Cholerae O395 bound to (E)-4-(8-methylnaphthalen-1-yl)but-3-enoic acid
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): Y12 F22 K31 F33 V81 K230 Y266
• Binding residue (residue number reindexed from 1): Y8 F18 K27 F29 V77 K226 Y262
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0003700 DNA-binding transcription factor activity
• GO:0043565 sequence-specific DNA binding

Biological Process

• GO:0006355 regulation of DNA-templated transcription

External links

• PDB: RCSB:5sux, PDBe:5sux, PDBj:5sux
• PDBsum: 5sux
• UniProt: Q7BGC0