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Ligand · 2NE

2NE · Salicylyl CoA

2NE, Salicylyl CoA (C28 H40 N7 O18 P3 S, 887.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
2NE
Formula
C28 H40 N7 O18 P3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

2NE in 4 structures; the first of them:

  • 4I4Z · Synechocystis sp. PCC 6803 1,4-dihydroxy-2-naphthoyl-coenzyme A synthase (MenB) in… · 2NE A301 · binds HIS29, LYS30, ARG31, ALA33, PHE34, SER75, GLY76, GLY77 and 19 more
  • 4QII · Crystal Structure of type II MenB from Mycobacteria tuberculosis · 2NE A401 · binds GLU56, VAL57, ARG58, ALA60, PHE61, SER103, GLY104, GLY105 and 19 more
  • 4I4Z · Synechocystis sp. pcc 6803 1,4-dihydroxy-2-naphthoyl-coenzyme a synthase (menb) in… · 2NE A301 · binds HIS29, LYS30, ARG31, ALA33, PHE34, SER75, GLY76, GLY77 and 19 more
  • 4QII · Crystal structure of type II menb from mycobacteria tuberculosis · 2NE A401 · binds GLU56, VAL57, ARG58, ALA60, PHE61, SER103, GLY104, GLY105 and 19 more

Residues it binds most

GLY 42, PHE 42, ASP 42, SER 42, TYR 42, LYS 42, VAL 42, ALA 42, ARG 42, GLN 42 (residue and the binding sites it lines).

Found with

  • BCT · Bicarbonate ion
  • MLI · Malonate ion
  • PGE · Triethylene glycol

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