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Ligand · LDV

LDV · 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole

LDV, 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole (C15 H20 N2, 228.3 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
LDV
Formula
C15 H20 N2
Class
ligand
Structures
5
PDB entries
3

Binding sites

LDV in 5 structures; the first of them:

  • 5QPN · PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with… · LDV A407 · binds ARG51, GLN91, TYR94, LEU95, ASP98, GLN167, LYS207, THR208 and 4 more
  • 5SDC · PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in… · LDV A801 · binds CYS69, HIS85, ASN218, ARG223, ASP227, SER655, PHE671, ASP672
  • 5QOM · Pandda analysis group deposition -- crystal structure of DCP2 (NUDT20) in complex with… · LDV A307 · binds PHE186, ASN187, PRO188, ARG191, ARG195, ASN196, ILE197, GLU198 and 1 more
  • 5QPN · Pandda analysis group deposition -- crystal structure of T. cruzi fpps in complex with… · LDV A407 · binds ARG51, GLN91, TYR94, LEU95, ASP98, GLN167, LYS207, THR208 and 4 more
  • 5SDC · Pandda analysis group deposition -- crystal structure of porphyromonas gingivalis in… · LDV A801 · binds CYS69, HIS85, ASN218, ARG223, ASP227, PHE671, ASP672

Residues it binds most

ASP 6, ARG 7, PHE 7, ASN 5, GLN 2, CYS 4, HIS 4, TYR 2, LEU 2, LYS 2 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • ZN · Zinc ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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