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Ligand · DN4

DN4 · [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate

DN4, [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate (C21 H27 N6 O18 P3, 744.4 g/mol), in…

Component
DN4
Formula
C21 H27 N6 O18 P3
Class
ligand
Structures
6
PDB entries
3

Binding sites

DN4 in 6 structures; the first of them:

  • 3WIE · Structure of a glucose dehydrogenase T277F mutant in complex with D-glucose and NAADP · DN4 A1003 · binds CYS41, THR43, ASN160, ILE192, GLY193, SER194, GLY195, SER196 and 18 more
  • 4F45 · Crystal structure of human CD38 E226Q mutant in complex with NAADP · DN4 A401 · binds LEU124, TRP125, SER126, ARG127, LYS129, LEU145, GLU146, ASP155 and 10 more
  • 4F46 · Crystal structure of wild type human CD38 in complex with NAADP and ADPRP · DN4 B401 · binds LEU124, TRP125, SER126, ARG127, LYS129, LEU145, GLU146, ASP155 and 6 more
  • 3WIE · Structure of a glucose dehydrogenase T277F mutant in complex with D- glucose and naadp · DN4 A1003 · binds CYS41, THR43, ASN160, ILE192, GLY193, SER194, GLY195, SER196 and 18 more
  • 4F45 · Crystal structure of human CD38 E226Q mutant in complex with naadp · DN4 A401 · binds LEU124, TRP125, SER126, ARG127, LYS129, LEU145, GLU146, ASP155 and 10 more
  • 4F46 · Crystal structure of wild type human CD38 in complex with naadp and adprp · DN4 B401 · binds LEU124, TRP125, SER126, ARG127, LYS129, LEU145, GLU146, ASP155 and 6 more

Residues it binds most

SER 14, THR 14, ASP 14, GLY 8, VAL 8, PHE 14, GLU 14, ASN 8, TRP 6, ARG 14 (residue and the binding sites it lines).

Found with

  • DVN · [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5S)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
  • ZN · Zinc ion
  • BGC · beta-D-glucopyranose

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