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Ligand · JBU

JBU · (4R,5R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid

JBU, (4R,5R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid (C6 H10 O6, 178.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
JBU
Formula
C6 H10 O6
Class
ligand
Structures
4
PDB entries
2

Binding sites

JBU in 4 structures; the first of them:

  • 7ETC · Crystal structure of AbHpaI-Zn-(4R)-KDGal complex, Class II aldolase, HpaI from… · JBU A302 · binds TRP21, ASP44, HIS47, ARG72, GLN149, GLU151, PHE172, GLY174 and 9 more
  • 7ETE · Crystal structure of AbHpaI-Mg-(4R)-KDGal complex, Class II aldolase, HpaI from… · JBU A301 · binds TRP21, ASP44, HIS47, ARG72, GLN149, GLU151, PHE172, GLY174 and 9 more
  • 7ETC · Crystal structure of abhpai-zn-(4R)-kdgal complex, class II aldolase, hpai from… · JBU A302 · binds HIS47, ARG72, GLN149, GLU151, GLY174, PRO175, ALA176, ASP177 and 5 more
  • 7ETE · Crystal structure of abhpai-mg-(4R)-kdgal complex, class II aldolase, hpai from… · JBU A301 · binds ARG72, GLN149, GLU151, PHE172, GLY174, PRO175, ALA176, LEU214 and 5 more

Residues it binds most

ALA 8, GLY 8, LEU 8, ASP 5, ARG 8, GLN 8, GLU 8, PRO 8, VAL 8, PHE 7 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • PYR · Pyruvic acid
  • MG · Magnesium ion
  • ZN · Zinc ion

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