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Ligand · HBO

HBO · 2,4-dihydroxy-7-(methyloxy)-2H-1,4-benzoxazin-3(4H)-one

HBO, 2,4-dihydroxy-7-(methyloxy)-2H-1,4-benzoxazin-3(4H)-one (C9 H9 N O5, 211.2 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
HBO
Formula
C9 H9 N O5
Class
ligand
Structures
10
PDB entries
5

Binding sites

HBO in 10 structures; the first of them:

  • 1E4N · Crystal structure of the inactive mutant Monocot (Maize ZMGlu1) beta-glucosidase… · HBO A514 · binds ASP191, THR194, PHE198, ASP261, TRP378, GLU464, PHE466, ALA467 and 1 more
  • 1E56 · Crystal structure of the inactive mutant Monocot (Maize ZMGlu1) beta-glucosidase… · HBO A514 · binds ASP191, THR194, PHE198, MET263, TRP378, GLU464, PHE466, ALA467 and 2 more
  • 1H49 · Crystal structure of the inactive double mutant of the maize beta-glucosidase… · HBO A1502 · binds TRP143, ASP191, THR194, VAL198, VAL204, PHE205, TRP378, GLU464 and 1 more
  • 3AIQ · Crystal structure of beta-glucosidase in wheat complexed with an aglycone DIMBOA · HBO A4134 · binds TRP146, GLU191, THR194, PHE198, ASP262, TYR334, TYR378, TRP379 and 4 more
  • 3AIV · Crystal structure of beta-glucosidase in rye complexed with an aglycone DIMBOA · HBO A900 · binds TRP146, GLU191, THR194, PHE198, ASP262, TYR334, TYR378, TRP379 and 4 more
  • 1E4N · Crystal structure of the inactive mutant monocot (maize ZMGLU1) beta-glucosidase zmglu… · HBO A514 · binds ASP191, THR194, PHE198, ASP261, TRP378, GLU464, PHE466, ALA467 and 1 more
  • 1E56 · Crystal structure of the inactive mutant monocot (maize ZMGLU1) beta- glucosidase… · HBO A514 · binds ASP191, THR194, PHE198, MET263, TRP378, GLU464, PHE466, ALA467 and 2 more
  • 1H49 · Crystal structure of the inactive double mutant of the maize beta- glucosidase… · HBO A1502 · binds TRP143, ASP191, THR194, VAL198, VAL204, PHE205, TRP378, GLU464 and 1 more
  • 3AIQ · Crystal structure of beta-glucosidase in wheat complexed with an aglycone dimboa · HBO A4134 · binds TRP146, GLU191, THR194, PHE198, ASP262, TYR334, TYR378, TRP379 and 4 more
  • 3AIV · Crystal structure of beta-glucosidase in rye complexed with an aglycone dimboa · HBO A900 · binds TRP146, GLU191, THR194, PHE198, ASP262, TYR334, TYR378, TRP379 and 4 more

Residues it binds most

PHE 16, TRP 16, GLU 12, ASP 14, THR 16, TYR 8, ALA 8, MET 6, VAL 2 (residue and the binding sites it lines).

Found with

  • BGC · beta-D-glucopyranose

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