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Ligand · 0I2

0I2 · (4~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl) methyl]oxepane-4-carboxamide

0I2, (4~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl) methyl]oxepane-4-carboxamide (C19 H23 N3 O2 S, 357.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
0I2
Formula
C19 H23 N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0I2 in 2 structures; the first of them:

  • 7ORS · Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ147 · 0I2 A305 · binds GLU14, CSO38, GLU39, ASN42, LEU43, VAL46, PRO167, ASP215
  • 7ORS · Ternary complex of 14-3-3 sigma, P27PT198 phosphopeptide, and WQ147 · 0I2 A305 · binds GLU14, CSO38, GLU39, ASN42, LEU43, VAL46, PRO167, ASP215

Residues it binds most

GLU 2, ASN 2, ASP 2, CSO 2, LEU 2, PRO 2, VAL 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • CL · Chloride ion

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