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Ligand · 0JD

0JD · (2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid

0JD, (2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid (C9 H8 O4, 180.2 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 most and…

Component
0JD
Formula
C9 H8 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

0JD in 4 structures; the first of them:

  • 4DE5 · Pantothenate synthetase in complex with fragment 6 · 0JD A401 · binds PRO38, THR39, MET40, GLY41, HIS47, VAL139, VAL142, VAL143 and 2 more
  • 4G5F · Pantothenate synthetase in complex with racemate… · 0JD A402 · binds PRO38, THR39, MET40, GLY41, HIS47, VAL142, VAL143, PHE157 and 1 more
  • 4DE5 · Pantothenate synthetase in complex with fragment 6 · 0JD A401 · binds PRO38, THR39, MET40, GLY41, HIS47, VAL139, VAL142, VAL143 and 2 more
  • 4G5F · Pantothenate synthetase in complex with racemate (2S)-2,3-dihydro-1,4… · 0JD A402 · binds PRO38, THR39, MET40, GLY41, HIS47, VAL142, VAL143, PHE157 and 1 more

Residues it binds most

VAL 8, GLN 8, GLY 8, HIS 8, MET 8, PHE 8, PRO 8, THR 8, ASP 4 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • EOH · Ethanol
  • GOL · Glycerol
  • 15N · (2R)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid

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