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Ligand · 449

449 · 4-carboxy-1,1-dimethylpiperidin-1-ium

449, 4-carboxy-1,1-dimethylpiperidin-1-ium (C8 H16 N O2 +1, 158.2 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…

Component
449
Formula
C8 H16 N O2 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

449 in 2 structures; the first of them:

  • 4CWD · Crystal structure of human gamma-BUTYROBETAINE,2-oxoglutarate in complex with 449, a… · 449 A1385 · binds TYR177, TRP181, ASN191, ALA193, TYR194, THR203, ASP204, TYR205 and 4 more
  • 4CWD · Crystal structure of human gamma-BUTYROBETAINE,2-oxoglutarate in complex with 449, a… · 449 A1385 · binds TYR177, TRP181, ASN191, ALA193, TYR194, THR203, ASP204, TYR205 and 4 more

Residues it binds most

TYR 2, ASN 2, THR 2, ALA 2, ASP 2, PRO 2, TRP 2 (residue and the binding sites it lines).

Found with

  • OGA · N-oxalylglycine
  • NI · Nickel (II) ion
  • ZN · Zinc ion
  • PEG · Di(hydroxyethyl)ether

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