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Ligand · NDQ

NDQ · 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate

NDQ, 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate (C12 H19 N4 O8 P2 S +1, 441.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every…

Component
NDQ
Formula
C12 H19 N4 O8 P2 S +1
Class
ligand
Structures
3
PDB entries
2

Binding sites

NDQ in 3 structures; the first of them:

  • 6TJ8 · Escherichia coli transketolase in complex with cofactor analog 2'-methoxythiamine… · NDQ A701 · binds ALA29, ASN64, HIS66, GLY114, PRO115, LEU116, GLY154, ASP155 and 18 more
  • 6TJ8 · Escherichia COLI transketolase in complex with cofactor analog 2'- methoxythiamine… · NDQ A701 · binds ALA29, HIS66, GLY114, PRO115, LEU116, GLY154, ASP155, GLY156 and 15 more
  • 6TJ9 · Escherichia COLI transketolase in complex with cofactor analog 2'- methoxythiamine and… · NDQ A702 · binds ALA29, ASN64, HIS66, GLY114, PRO115, LEU116, GLY154, ASP155 and 15 more

Residues it binds most

GLY 6, HIS 6, ILE 6, ASP 6, GLU 6, PHE 6, ASN 6, LEU 6, ALA 6, PRO 6 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • EDO · 1,2-ethanediol
  • 5SP · 5-O-phosphono-D-xylulose
  • NA · Sodium ion

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