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Ligand · A1R

A1R · 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy) phosphoryl]adenosine

A1R, 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy) phosphoryl]adenosine (C15 H24 N6 O12 P2, 542.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…

Component
A1R
Formula
C15 H24 N6 O12 P2
Class
ligand
Structures
4
PDB entries
2

Binding sites

A1R in 4 structures; the first of them:

  • 6HH3 · ADP-ribosylserine hydrolase ARH3 of Latimeria chalumnae in complex with ADP-HPD · A1R A403 · binds GLU33, THR62, ASP63, ASP64, GLY101, GLY103, ALA104, GLY105 and 18 more
  • 6Z6I · SARS-CoV-2 Macrodomain in complex with ADP-HPD · A1R A401 · binds ALA225, ASP226, ILE227, ALA242, ALA243, ASN244, LYS248, HIS249 and 18 more
  • 6HH3 · ADP-ribosylserine hydrolase ARH3 of latimeria chalumnae in complex with ADP-hpd · A1R A403 · binds GLU33, ASP63, ASP64, GLY101, GLY103, ALA104, GLY105, VAL106 and 16 more
  • 6Z6I · SARS-cov-2 macrodomain in complex with ADP-hpd · A1R A401 · binds ALA225, ASP226, ILE227, ALA242, ALA243, ASN244, LYS248, HIS249 and 14 more

Residues it binds most

GLY 16, ALA 13, ASP 16, ILE 16, PHE 16, LEU 8, VAL 13, ASN 14, GLU 7, SER 12 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • MG · Magnesium ion
  • NA · Sodium ion
  • EDO · 1,2-ethanediol
  • MPO · 3[N-morpholino]propane sulfonic acid

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