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Ligand · 945

945 · [(1~{R},2~{R},3~{R},4~{S},5~{R})-2-(hydroxymethyl)-3,4, 5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate

945, [(1~{R},2~{R},3~{R},4~{S},5~{R})-2-(hydroxymethyl)-3,4, 5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate (C7 H14 O9 S, 274.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
945
Formula
C7 H14 O9 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

945 in 2 structures; the first of them:

  • 5NPF · Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in… · 945 A915 · binds GLU441, TYR445, ASP452, HIS507, TYR523, TRP531, THR591, ASP593 and 5 more
  • 5NPF · Crystal structure of TXGH116 (beta-glucosidase from thermoanaerobacterium xylolyticum) in… · 945 A915 · binds GLU441, TYR445, ASP452, HIS507, TYR523, TRP531, THR591, ASP593 and 5 more

Residues it binds most

TYR 2, ARG 2, ASP 2, GLU 2, TRP 2, HIS 2, THR 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • EDO · 1,2-ethanediol

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