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Ligand · 0XE

0XE · 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid

0XE, 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid (C21 H18 O11, 446.4 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å…

Component
0XE
Formula
C21 H18 O11
Class
ligand
Structures
5
PDB entries
3

Binding sites

0XE in 5 structures; the first of them:

  • 4H2B · Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with Baicalin · 0XE A603 · binds ASP47, SER49, ARG354, ASN390, GLY392, GLY393, ARG395, PHE417 and 4 more
  • 4Q2V · Crystal Structure of Ricin A chain complexed with Baicalin inhibitor · 0XE A301 · binds ARG213, THR216, GLU220, TYR257, ARG258, CYS259
  • 8IME · Human cGAS catalytic domain bound with baicalin · 0XE A601 · binds VAL218, MET229, ARG376, LEU377, SER378, SER380, ASP431, LYS432 and 9 more
  • 4H2B · Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with baicalin · 0XE A603 · binds ASP47, SER49, ARG354, ASN390, GLY392, GLY393, ARG395, PHE417 and 4 more
  • 4Q2V · Crystal structure of ricin a chain complexed with baicalin inhibitor · 0XE A301 · binds ARG213, THR216, GLU220, TYR257, ARG258, CYS259

Residues it binds most

ARG 6, SER 4, PHE 4, ASP 4, GLY 2, ASN 4, LEU 2, LYS 2, THR 4, TYR 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CA · Calcium ion
  • CL · Chloride ion

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