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Ligand · 00A

00A · 5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine

00A, 5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine (C17 H17 Cl N5 O8 P, 485.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
00A
Formula
C17 H17 Cl N5 O8 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

00A in 2 structures; the first of them:

  • 3CW8 · 4-Chlorobenzoyl-CoA Ligase/Synthetase, bound to 4CBA-Adenylate · 00A X909 · binds THR161, PHE184, HIS207, VAL208, VAL209, PHE279, ALA280, GLY281 and 14 more
  • 3CW8 · 4-chlorobenzoyl-CoA LIGASE/SYNTHETASE, bound to 4CBA-adenylate · 00A X909 · binds THR161, PHE184, HIS207, VAL208, VAL209, PHE279, ALA280, GLY281 and 14 more

Residues it binds most

THR 2, GLY 2, ALA 2, ASN 2, MET 2, PHE 2, VAL 2, ARG 2, ASP 2, HIS 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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