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Ligand · 01A

01A · 4-Chlorophenacyl-coenzyme A

01A, 4-Chlorophenacyl-coenzyme A (C29 H41 Cl N7 O17 P3 S, 920.1 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 residues it binds most and the ligands…

Component
01A
Formula
C29 H41 Cl N7 O17 P3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

01A in 2 structures; the first of them:

  • 3CW9 · 4-Chlorobenzoyl-CoA Ligase/Synthetase in the Thioester-forming Conformation, bound to… · 01A A990 · binds ARG87, PHE184, MET203, PRO204, HIS207, VAL208, VAL209, PHE231 and 21 more
  • 3CW9 · 4-chlorobenzoyl-CoA LIGASE/SYNTHETASE in the thioester-forming conformation, bound to… · 01A A990 · binds ARG87, PHE184, MET203, PRO204, HIS207, VAL208, VAL209, PHE231 and 21 more

Residues it binds most

GLY 4, THR 4, PHE 4, ARG 4, HIS 4, MET 4, VAL 4, ALA 4, ASN 4, ASP 4 (residue and the binding sites it lines).

Found with

  • AMP · Adenosine monophosphate
  • MG · Magnesium ion
  • NO3 · Nitrate ion
  • EDO · 1,2-ethanediol

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