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Ligand · 1G4

1G4 · (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazin-2-one

1G4, (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazin-2-one (C18 H20 N2 O3, 312.4 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…

Component
1G4
Formula
C18 H20 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

1G4 in 2 structures; the first of them:

  • 4IPS · Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121 · 1G4 A404 · binds MET62, ASN74, THR77, VAL78, VAL82, VAL83, ASN85, ALA167 and 7 more
  • 4IPS · Substrate and reaction specificity of mycobacterium tuberculosis cytochrome P450 CYP121 · 1G4 A404 · binds MET62, ASN74, THR77, VAL78, VAL82, VAL83, ASN85, ALA167 and 7 more

Residues it binds most

VAL 2, ALA 2, ASN 2, THR 2, GLN 2, MET 2, PHE 2, PRO 2, TRP 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion
  • GOL · Glycerol

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