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Ligand · 9C4

9C4 · (2S)-2-hydroxy-3-epiquinic acid

9C4, (2S)-2-hydroxy-3-epiquinic acid (C7 H12 O7, 208.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
9C4
Formula
C7 H12 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

9C4 in 2 structures; the first of them:

  • 4CNP · Structure of the Salmonella typhi type I dehydroquinase inhibited by a 3-epiquinic acid… · 9C4 A301 · binds SER21, GLU46, ARG48, THR80, ARG82, ASP114, HIS143, PHE145 and 9 more
  • 4CNP · Structure of the salmonella typhi type I dehydroquinase inhibited by a 3-epiquinic acid… · 9C4 A301 · binds SER21, GLU46, ARG48, THR80, ARG82, ASP114, HIS143, PHE145 and 9 more

Residues it binds most

ARG 4, ALA 4, MET 4, SER 4, PHE 4, ASP 4, GLN 4, GLU 4, HIS 4, LYS 4 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion

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