GL1X · GenesisL1 explorer

Ligand · AVW

AVW · [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4S)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate

AVW, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4S)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (C15 H22 F N5 O12 P2, 545.3 g/mol), in the MolNFT structures on…

Component
AVW
Formula
C15 H22 F N5 O12 P2
Class
ligand
Structures
6
PDB entries
3

Binding sites

AVW in 6 structures; the first of them:

  • 3I9N · Crystal structure of human CD38 complexed with an analog ribo-2'F-ADP ribose · AVW A301 · binds LEU124, TRP125, SER126, ARG127, LEU145, TRP176, TRP189, SER193 and 5 more
  • 3I9O · Crystal structure of ADP ribosyl cyclase complexed with ribo-2'F-ADP ribose · AVW A301 · binds MET75, PHE76, TRP77, SER78, GLY79, VAL80, TYR81, LEU97 and 8 more
  • 5BNI · Porcine CD38 complexed with complexed with a covalent intermediate… · AVW B301 · binds PHE129, TRP130, SER131, LYS132, THR133, LEU150, ARG181, TRP193 and 7 more
  • 3I9N · Crystal structure of human CD38 complexed with an analog ribo-2'F-ADP ribose · AVW A301 · binds LEU124, TRP125, SER126, ARG127, LEU145, TRP176, TRP189, SER193 and 5 more
  • 3I9O · Crystal structure of ADP ribosyl cyclase complexed with ribo-2'F-ADP ribose · AVW A301 · binds MET75, PHE76, TRP77, SER78, GLY79, VAL80, TYR81, LEU97 and 8 more
  • 5BNI · Porcine CD38 complexed with complexed with a covalent intermediate… · AVW B301 · binds PHE129, TRP130, SER131, LYS132, THR133, LEU150, ARG181, TRP193 and 7 more

Residues it binds most

SER 10, PHE 10, TRP 10, GLU 10, LEU 10, ARG 10, THR 6, TYR 4, GLY 4, VAL 4 (residue and the binding sites it lines).

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