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Ligand · XH2

XH2 · (1R,4R,5R)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid

XH2, (1R,4R,5R)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid (C9 H14 O6, 218.2 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…

Component
XH2
Formula
C9 H14 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

XH2 in 2 structures; the first of them:

  • 4CIW · Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with… · XH2 A1148 · binds PRO11, ASN12, LEU13, TYR24, ASN75, GLY77, GLY78, HIS81 and 6 more
  • 4CIW · Crystal structure of mycobacterium tuberculosis type 2 dehydroquinase in complex with… · XH2 A1148 · binds PRO11, ASN12, LEU13, TYR24, ASN75, GLY77, GLY78, HIS81 and 6 more

Residues it binds most

ARG 2, ASN 2, GLY 2, HIS 2, ILE 2, LEU 2, PRO 2, SER 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • SO4 · Sulfate ion

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