Structure of PDB 7vhf Chain A Binding Site BS02

Receptor Information

>7vhf Chain A (length=283) Species: 562 (Escherichia coli)

REFTIDFSTQQSYVSSLNSIRTEISTPLEHISQGTTSVSVINHTPPGSYF
AVDIRGLDVYQARFDHLRLIIEQNNLYVAGFVNTATNTFYRFSDFTHISV
PGVTTVSMTTDSSYTTLQRVAALERSGMQISRHSLVSSYLALMEFSGNTM
TRDASRAVLRFVTVTAEALRFRQIQREFRQALSETAPVYTMTPGDVDLTL
NWGRISNVLPEYRGEDGVRVGRISFNNISAILGTVAVILNCHQPECQITG
DRPVIKINNTLWESNTAAAFLNRKSQFLYTTGK

Ligand information

• Ligand ID: 1PS
• InChI: InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
• InChIKey: REEBJQTUIJTGAL-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [O-][S](=O)(=O)CCC[n+]1ccccc1
  ACDLabs 10.04: [O-]S(=O)(=O)CCC[n+]1ccccc1
  OpenEye OEToolkits 1.5.0: c1cc[n+](cc1)CCCS(=O)(=O)[O-]
• Formula: C8 H11 N O3 S
• Name: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE;
  1-(3-SULFOPROPYL) PYRIDINIUM;
  PPS
• PDB chain: 7vhf Chain B Residue 101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7vhf A unique peptide-based pharmacophore identifies an inhibitory compound against the A-subunit of Shiga toxin.
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): V78 S112
• Binding residue (residue number reindexed from 1): V78 S112
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.2.2.22: rRNA N-glycosylase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0030598 rRNA N-glycosylase activity
• GO:0090729 toxin activity

Biological Process

• GO:0017148 negative regulation of translation
• GO:0035821 modulation of process of another organism

External links

• PDB: RCSB:7vhf, PDBe:7vhf, PDBj:7vhf
• PDBsum: 7vhf
• PubMed: 35794188
• UniProt: Q7DI68