Structure of PDB 5dgc Chain B Binding Site BS03

Receptor Information

>5dgc Chain B (length=128) Species: 83334 (Escherichia coli O157:H7)

ADKELKFLVVDDQSTMRRIVRNLLKELGFNNVEEAEDGVDALNKLQAGGY
GFVISDWKMPNMDGLELLKTIRADGAMSALPVLMVTAYAKKENIIAAAQA
GASGYVVKPFTAATLEEKLNKIFEKLGM

Ligand information

• Ligand ID: IMD
• InChI: InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1
• InChIKey: RAXXELZNTBOGNW-UHFFFAOYSA-O
• SMILES:
  CACTVS 3.341: [nH]1cc[nH+]c1
  ACDLabs 10.04: c1c[nH+]cn1
  OpenEye OEToolkits 1.5.0: c1c[nH+]c[nH]1
• Formula: C3 H5 N2
• Name: IMIDAZOLE
• PDB chain: 5dgc Chain B Residue 204

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5dgc Imidazole as a Small Molecule Analogue in Two-Component Signal Transduction.
• Resolution: 1.94 Å
• Binding residue (original residue number in PDB): K59 A88 Y89
• Binding residue (residue number reindexed from 1): K58 A87 Y88
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0000155 phosphorelay sensor kinase activity
• GO:0009927 histidine phosphotransfer kinase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0000160 phosphorelay signal transduction system
• GO:0006935 chemotaxis
• GO:0046777 protein autophosphorylation
• GO:0097588 archaeal or bacterial-type flagellum-dependent cell motility

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5dgc, PDBe:5dgc, PDBj:5dgc
• PDBsum: 5dgc
• PubMed: 26569142
• UniProt: P0AE68|CHEY_ECO57 Chemotaxis protein CheY (Gene Name=cheY)