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Ligand · JXL

JXL · [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid

JXL, [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid (C5 H6 B F3 N2 O2, 193.9 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
JXL
Formula
C5 H6 B F3 N2 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

JXL in 1 structure; the first of them:

  • 8PF8 · Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex… · JXL A809 · binds ALA66, GLY67, GLY68, LEU114, GLY115, PRO140, GLU141, LEU144 and 2 more

Residues it binds most

GLY 4, PHE 6, VAL 4, LEU 4, ALA 4, MET 2, THR 2, GLN 3, ASP 2, GLU 2 (residue and the binding sites it lines).

Found with

  • YLN · bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-bis(oxidanyl)boranuide
  • YLZ · [(2~{R})-2,3-bis(oxidanyl)propoxy]-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]borinic acid
  • YMK · (2~{R})-3-bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boranyloxypropane-1,2-diol
  • SO4 · Sulfate ion
  • GOL · Glycerol

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