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Ligand · IXD

IXD · 4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enopyranuronic acid

IXD, 4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enopyranuronic acid (C6 H8 O9 S, 256.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
IXD
Formula
C6 H8 O9 S
Class
sugar
Structures
2
PDB entries
1

Binding sites

IXD in 2 structures; the first of them:

  • 3ILR · Structure of Heparinase I from Bacteroides thetaiotaomicron in complex with… · IXD B1 · binds GLY74, TYR75, GLU79, THR80, LYS81, TYR226, ARG255, ASN257 and 4 more
  • 3ILR · Structure of heparinase I from bacteroides thetaiotaomicron in complex with… · IXD B1 · binds GLY74, TYR75, GLU79, THR80, LYS81, TYR226, ARG255, ASN257 and 4 more

Residues it binds most

GLY 4, LYS 4, ARG 4, TYR 4, GLN 2, GLU 4, ASN 2, ASP 2, HIS 2, PRO 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SGN · 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose
  • EDO · 1,2-ethanediol

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