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Ligand · KIX

KIX · 1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine

KIX, 1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine (C8 H10 B O3, 165.0 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
KIX
Formula
C8 H10 B O3
Class
ligand
Structures
4
PDB entries
4

Binding sites

KIX in 4 structures; the first of them:

  • 8Q6L · human Carbonic Anhydrase I in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol · KIX AAA302 · binds HIS67, PHE91, GLN92, HIS94, HIS96, GLU106, HIS119, ALA121 and 5 more
  • 8Q7G · Human Carbonic Anhydrase I in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol pH… · KIX AAA303 · binds HIS67, PHE91, GLN92, HIS94, HIS96, GLU106, HIS119, ALA121 and 6 more
  • 8QHO · Human Carbonic Anhydrase II in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol · KIX AAA303 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131, VAL143 and 5 more
  • 8QKZ · Human Carbonic Anhydrase II in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol… · KIX AAA303 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131, LEU141 and 5 more

Residues it binds most

HIS 6, THR 6, VAL 6, LEU 6, GLN 6, GLU 6, TRP 6, PHE 5, ALA 4, SER 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • NA · Sodium ion
  • ACT · Acetate ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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