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Ligand · A6D

A6D · (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-{[(3-nitrobenzyl)disulfanyl]methyl}tetrahydrofuran-3,4-diol

A6D, (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-{[(3-nitrobenzyl)disulfanyl]methyl}tetrahydrofuran-3,4-diol (C17 H18 N6 O5 S2, 450.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
A6D
Formula
C17 H18 N6 O5 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

A6D in 2 structures; the first of them:

  • 3IOD · Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.75 Ang… · A6D A302 · binds PRO38, THR39, MET40, HIS44, GLY46, HIS47, LEU50, SER65 and 17 more
  • 3IOD · Crystal structure of mycobacterium tuberculosis pantothenate synthetase at 1.75 ang… · A6D A302 · binds PRO38, THR39, MET40, HIS44, GLY46, HIS47, LEU50, SER65 and 17 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • EOH · Ethanol
  • GOL · Glycerol

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