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Ligand · 6M4

6M4 · 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium

6M4, 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium (C7 H8 B O3 -1, 150.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
6M4
Formula
C7 H8 B O3 -1
Class
ligand
Structures
2
PDB entries
2

Binding sites

6M4 in 2 structures; the first of them:

  • 5JQ0 · Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH=8.7 · 6M4 A302 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131, LEU141 and 4 more
  • 5JQT · Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH 7.4 · 6M4 A302 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131, LEU141 and 4 more

Residues it binds most

HIS 6, THR 3, VAL 3, LEU 3, PHE 4, ASN 2, GLN 3, GLU 3, GLY 2, TRP 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • 6M9 · 2,1-benzoxaborol-1(3H)-ol
  • HGB · 4-(hydroxymercury)benzoic acid

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