Structure of PDB 3wgg Chain A Binding Site BS02

Receptor Information

>3wgg Chain A (length=213) Species: 509192 (Thermoanaerobacter ethanolicus JW 200)

KTIVSMAVIRRLPRYHRYLEELLKNDVKRISSRELSEKMGVTASQIRQDL
NNFGGFGQQGYGYNVEELYNNLTKILGLDKTYNTIIIGAGNLGQAIANYT
SFEKSGFNLKGIFDINPRLFGLKIRDVEVMDVETVEDFIARNKIDIGILC
IPKDNAQYTADRLVRAGIKAIWNFLPIDLKVPDDVILENVHLSDSLFTVS
YRLNEEELFKKLK

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-]S(=O)(=O)[O-]
  CACTVS 3.341: [O-][S]([O-])(=O)=O
  ACDLabs 10.04: [O-]S([O-])(=O)=O
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 3wgg Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3wgg Binding mode of the oxidized alpha-anomer of NAD(+) to RSP, a Rex-family repressor
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): R17 R20 Y21
• Binding residue (residue number reindexed from 1): R14 R17 Y18
• Annotation score: 3

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0003677 DNA binding
• GO:0003700 DNA-binding transcription factor activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006355 regulation of DNA-templated transcription
• GO:0045892 negative regulation of DNA-templated transcription
• GO:0051775 response to redox state

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3wgg, PDBe:3wgg, PDBj:3wgg
• PDBsum: 3wgg
• PubMed: 25527330
• UniProt: D5KM69