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Ligand · SN5

SN5 · 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose

SN5, 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose (C8 H15 N O5 S, 237.3 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
SN5
Formula
C8 H15 N O5 S
Class
sugar
Structures
6
PDB entries
3

Binding sites

SN5 in 6 structures; the first of them:

  • 2WK2 · Chitinase A from Serratia marcescens ATCC990 in complex with Chitotrio-thiazoline… · SN5 B1 · binds TRP167, PHE191, GLY274, TRP275, THR276, ARG446, GLU473, ILE476 and 2 more
  • 2WLY · Chitinase A from Serratia marcescens ATCC990 in complex with Chitotrio-thiazoline. · SN5 A1571 · binds TRP167, PHE191, GLY274, TRP275, THR276, ARG446, GLU473, ILE476 and 2 more
  • 5DF0 · Crystal structure of AcMNPV Chitinase A in complex WITH CHITOTRIO-THIAZOLINE DITHIOAMIDE · SN5 A604 · binds TRP157, ARG162, PHE181, ILE197, GLY264, TRP265, THR266, ARG437 and 4 more
  • 2WK2 · Chitinase a from serratia marcescens ATCC990 in complex with chitotrio-thiazoline… · SN5 B1 · binds TRP167, PHE191, GLY274, TRP275, THR276, ARG446, GLU473, ILE476 and 2 more
  • 2WLY · Chitinase a from serratia marcescens ATCC990 in complex with chitotrio-thiazoline. · SN5 A1571 · binds TRP167, PHE191, GLY274, TRP275, THR276, ARG446, GLU473, ILE476 and 2 more
  • 5DF0 · Crystal structure of acmnpv chitinase a in complex with chitotrio- thiazoline dithioamide · SN5 A604 · binds TRP157, ARG162, PHE181, ILE197, GLY264, TRP265, THR266, ARG437 and 4 more

Residues it binds most

TRP 14, GLU 12, PHE 12, ARG 12, ILE 10, THR 10, GLY 8, ASP 4, LEU 2, SER 4 (residue and the binding sites it lines).

Found with

  • NGT · 3ar,5r,6s,7r,7ar-5-hydroxymethyl-2-methyl-5,6,7,7A-tetrahydro-3AH-pyrano[3,2-d]thiazole-6,7-diol
  • PEG · Di(hydroxyethyl)ether
  • 58Y · (2R,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methylhexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • DIO · 1,4-diethylene dioxide

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