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Ligand · 12S

12S · 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)

12S, 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) (C25 H33 N5, 403.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…

Component
12S
Formula
C25 H33 N5
Class
ligand
Structures
4
PDB entries
2

Binding sites

12S in 4 structures; the first of them:

  • 4D3K · Structure of Bacillus subtilis nitric oxide synthase in complex with… · 12S A904 · binds HIS128, PRO216, ILE218, PHE235, GLY237, TRP238, TYR239, MET240 and 7 more
  • 4IMS · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · 12S A802 · binds MET336, GLN478, ARG481, PRO565, VAL567, PHE584, SER585, GLY586 and 12 more
  • 4D3K · Structure of bacillus subtilis nitric oxide synthase in complex with… · 12S A904 · binds HIS128, PRO216, ILE218, PHE235, GLY237, TRP238, TYR239, MET240 and 7 more
  • 4IMS · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · 12S A802 · binds MET336, GLN478, ARG481, PRO565, VAL567, PHE584, SER585, GLY586 and 12 more

Residues it binds most

TRP 8, ARG 8, PHE 8, HIS 8, MET 8, TYR 8, GLU 8, GLY 8, PRO 8, VAL 4 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • CL · Chloride ion
  • ZN · Zinc ion
  • ACT · Acetate ion
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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