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Ligand · ALI

ALI · Methyl N-acetyl allosamine

ALI, Methyl N-acetyl allosamine (C8 H12 N2 O4, 200.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
ALI
Formula
C8 H12 N2 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

ALI in 4 structures; the first of them:

  • 1HKI · Crystal structure of human chitinase in complex with glucoallosamidin B · ALI A1389 · binds TYR27, PHE58, GLY98, TRP99, ASP138, GLU140, ALA183, MET210 and 6 more
  • 1HKM · High resolution crystal structure of human chitinase in complex with demethylallosamidin · ALI A1389 · binds TYR27, PHE58, GLY98, TRP99, ASP138, GLU140, ALA183, MET210 and 5 more
  • 1HKI · Crystal structure of human chitinase in complex with glucoallosamidin B · ALI A1389 · binds TYR27, PHE58, GLY98, TRP99, ASP138, GLU140, ALA183, MET210 and 6 more
  • 1HKM · High resolution crystal structure of human chitinase in complex with demethylallosamidin · ALI A1389 · binds TYR27, PHE58, GLY98, TRP99, ASP138, GLU140, ALA183, MET210 and 5 more

Residues it binds most

TYR 4, ASP 4, MET 4, TRP 4, ALA 4, GLU 4, GLY 4, PHE 4, ARG 2 (residue and the binding sites it lines).

Found with

  • NA1 · 2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose
  • NAA · 2-acetamido-2-deoxy-beta-D-allopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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