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Ligand · NIR

NIR · 3-(aminocarbonyl)-1-[(3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydro-2-furanyl]pyridinium

NIR, 3-(aminocarbonyl)-1-[(3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydro-2-furanyl]pyridinium (C11 H18 N2 O4, 242.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
NIR
Formula
C11 H18 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

NIR in 2 structures; the first of them:

  • 1GZF · Structure of the Clostridium botulinum C3 exoenzyme (wild-type) in complex with NAD · NIR C1252 · binds ALA83, PHE127, ARG128, GLY129, SER174, THR175, SER176, GLN182 and 6 more
  • 1GZF · Structure of the clostridium botulinum C3 exoenzyme (wild-type) in complex with NAD · NIR C1252 · binds ALA83, PHE127, ARG128, GLY129, SER174, THR175, SER176, GLN182 and 6 more

Residues it binds most

PHE 2, ALA 2, ARG 2, GLY 2, SER 2, GLN 2, GLU 2, THR 2 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • NAD · Nicotinamide-adenine-dinucleotide
  • SO4 · Sulfate ion

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