Structure of PDB 5n0l Chain B Binding Site BS01

Receptor Information

>5n0l Chain B (length=156) Species: 1496 (Clostridioides difficile)

MASEVLQKTRKINKTLQTSGGSSVSFDLLAGALGDVLSSNVYVVSAKGKV
LGLHLNDVQDSSVIEDEYTKQKKFSDEYTQNVLKIDETLENLNGEKILEI
FPEEHGRLQKYTTVVPILGSGQRLGTLVLSRYSNSFNDDDLVIAEYSATV
VGLEIL

Ligand information

• Ligand ID: ILE
• InChI: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
• InChIKey: AGPKZVBTJJNPAG-WHFBIAKZSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC[C@H](C)[C@@H](C(=O)O)N
  OpenEye OEToolkits 1.5.0: CCC(C)C(C(=O)O)N
  CACTVS 3.341: CC[CH](C)[CH](N)C(O)=O
  ACDLabs 10.04: O=C(O)C(N)C(C)CC
  CACTVS 3.341: CC[C@H](C)[C@H](N)C(O)=O
• Formula: C6 H13 N O2
• Name: ISOLEUCINE
• ChEMBL: CHEMBL1233584
• DrugBank: DB00167
• ZINC: ZINC000003581355
• PDB chain: 5n0l Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5n0l Impact of CodY protein on metabolism, sporulation and virulence in Clostridioides difficile ribotype 027.
• Resolution: 1.68 Å
• Binding residue (original residue number in PDB): N40 Y42 D60 S62 F101 E104 K110
• Binding residue (residue number reindexed from 1): N40 Y42 D60 S62 F101 E104 K110
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0003700 DNA-binding transcription factor activity
• GO:0005525 GTP binding

Biological Process

• GO:0045892 negative regulation of DNA-templated transcription

External links

• PDB: RCSB:5n0l, PDBe:5n0l, PDBj:5n0l
• PDBsum: 5n0l
• PubMed: 30699117
• UniProt: Q18BE1