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Ligand · 2CW

2CW · 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide

2CW, 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide (C22 H19 N3 O4, 389.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
2CW
Formula
C22 H19 N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

2CW in 2 structures; the first of them:

  • 4MQY · Crystal Structure of the Escherichia coli LpxC/LPC-138 complex · 2CW A402 · binds LEU18, LEU62, CYS63, GLU78, HIS79, THR191, PHE192, GLY193 and 13 more
  • 4MQY · Crystal structure of the escherichia COLI LPXC/LPC-138 complex · 2CW A402 · binds LEU18, LEU62, CYS63, GLU78, HIS79, THR191, PHE192, GLY193 and 13 more

Residues it binds most

HIS 2, CYS 2, GLY 2, LEU 2, PHE 2, ALA 2, ASP 2, GLN 2, GLU 2, ILE 2 (residue and the binding sites it lines).

Found with

  • UKW · 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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