Structure of PDB 5n0l Chain E Binding Site BS01

Receptor Information
>5n0l Chain E (length=156) Species: 1496 (Clostridioides difficile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MASEVLQKTRKINKTLQTSGGSSVSFDLLAGALGDVLSSNVYVVSAKGKV
LGLHLNDVQDSSVIEDEYTKQKKFSDEYTQNVLKIDETLENLNGEKILEI
FPEEHGRLQKYTTVVPILGSGQRLGTLVLSRYSNSFNDDDLVIAEYSATV
VGLEIL
Ligand information
Ligand IDILE
InChIInChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKeyAGPKZVBTJJNPAG-WHFBIAKZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC[C@H](C)[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0CCC(C)C(C(=O)O)N
CACTVS 3.341CC[CH](C)[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C(C)CC
CACTVS 3.341CC[C@H](C)[C@H](N)C(O)=O
FormulaC6 H13 N O2
NameISOLEUCINE
ChEMBLCHEMBL1233584
DrugBankDB00167
ZINCZINC000003581355
PDB chain5n0l Chain E Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5n0l Impact of CodY protein on metabolism, sporulation and virulence in Clostridioides difficile ribotype 027.
Resolution1.68 Å
Binding residue
(original residue number in PDB)
N40 Y42 D60 S62 E104 K110
Binding residue
(residue number reindexed from 1)
N40 Y42 D60 S62 E104 K110
Annotation score4
Enzymatic activity
Enzyme Commision number ?
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

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Molecular Function

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Biological Process
External links
PDB RCSB:5n0l, PDBe:5n0l, PDBj:5n0l
PDBsum5n0l
PubMed30699117
UniProtQ18BE1

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