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Ligand · NA1

NA1 · 2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose

NA1, 2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose (C9 H17 N O6, 235.2 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
NA1
Formula
C9 H17 N O6
Class
sugar
Structures
6
PDB entries
3

Binding sites

NA1 in 6 structures; the first of them:

  • 1HKI · Crystal structure of human chitinase in complex with glucoallosamidin B · NA1 B2 · binds TRP31, ARG35, ASN100, THR295, GLU297
  • 1HKJ · Crystal structure of human chitinase in complex with methylallosamidin · NA1 B2 · binds TRP31, ARG35, ASN100, THR295, GLU297
  • 3FY1 · The Acidic Mammalian Chitinase catalytic domain in complex with methylallosamidin · NA1 C2 · binds TRP31, ILE69, ASN100, ALA295, LYS296, GLU297
  • 1HKI · Crystal structure of human chitinase in complex with glucoallosamidin B · NA1 B2 · binds TRP31, ARG35, ASN100, THR295, GLU297
  • 1HKJ · Crystal structure of human chitinase in complex with methylallosamidin · NA1 B2 · binds TRP31, ARG35, ASN100, THR295, GLU297
  • 3FY1 · The acidic mammalian chitinase catalytic domain in complex with methylallosamidin · NA1 C2 · binds TRP31, ILE69, ASN100, ALA295, LYS296, GLU297

Residues it binds most

ASN 8, GLU 8, TRP 8, ALA 4, ARG 4, ILE 4, LYS 4, THR 4 (residue and the binding sites it lines).

Found with

  • AMI · Allosamizoline
  • NAA · 2-acetamido-2-deoxy-beta-D-allopyranose
  • ALI · Methyl N-acetyl allosamine
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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