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Ligand · G3I

G3I · (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside

G3I, (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside (C24 H43 N O18, 633.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
G3I
Formula
C24 H43 N O18
Class
sugar
Structures
4
PDB entries
2

Binding sites

G3I in 4 structures; the first of them:

  • 3CUG · Cellulomonas fimi Xylanase/Cellulase Cex (Cf Xyn10A) in complex with cellotetraose-like… · G3I A316 · binds GLU43, ASN44, LYS47, HIS80, TRP84, GLN87, ASN126, GLU127 and 5 more
  • 3RX7 · Structure of AaCel9A in complex with cellotetraose-like isofagomine · G3I A604 · binds ASP143, ALA144, ASP146, TYR150, PHE221, GLY298, GLU299, TYR300 and 10 more
  • 3CUG · Cellulomonas fimi XYLANASE/CELLULASE cex (cf XYN10A) in complex with cellotetraose-like… · G3I A316 · binds GLU43, ASN44, LYS47, HIS80, TRP84, GLN87, ASN126, GLU127 and 5 more
  • 3RX7 · Structure of AACEL9A in complex with cellotetraose-like isofagomine · G3I A604 · binds ASP143, ALA144, ASP146, TYR150, PHE221, GLY298, GLU299, TYR300 and 10 more

Residues it binds most

TRP 4, GLU 4, TYR 2, GLN 4, HIS 4, ASN 2, ASP 2, ALA 2, GLY 2, ILE 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • 9MR · (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranoside

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