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Ligand · LG5

LG5 · 1-methyl-1,6-dihydropyridin-3-amine

LG5, 1-methyl-1,6-dihydropyridin-3-amine (C6 H10 N2, 110.2 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…

Component
LG5
Formula
C6 H10 N2
Class
ligand
Structures
4
PDB entries
2

Binding sites

LG5 in 4 structures; the first of them:

  • 2EUO · Cytochrome c peroxidase (CCP) in complex with 1-methyl-1-lambda-5-pyridin-3-yl-amine · LG5 A401 · binds HIS175, LEU177, GLY178, LYS179, THR180, PRO190, GLY191, PHE202 and 4 more
  • 4JM9 · Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with… · LG5 A302 · binds HIS175, ALA176, LEU177, GLY178, LYS179, THR180, MET228, MET229 and 2 more
  • 2EUO · Cytochrome C peroxidase (ccp) in complex with 1-methyl-1-lambda-5- pyridin-3-yl-amine · LG5 A401 · binds HIS175, LEU177, GLY178, LYS179, THR180, PRO190, GLY191, PHE202 and 4 more
  • 4JM9 · Crystal structure of cytochrome C peroxidase W191G-gateless in complex with… · LG5 A302 · binds HIS175, ALA176, LEU177, GLY178, LYS179, THR180, MET228, MET229 and 2 more

Residues it binds most

LEU 4, MET 4, GLY 4, ASP 4, HIS 4, LYS 4, THR 4, ALA 2, PHE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • IOD · Iodide ion
  • PO4 · Phosphate ion

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