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Ligand · EXI

EXI · N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2-dimethylethane-1,2-diamine

EXI, N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2-dimethylethane-1,2-diamine (C17 H25 N5, 299.4 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues…

Component
EXI
Formula
C17 H25 N5
Class
ligand
Structures
10
PDB entries
5

Binding sites

EXI in 10 structures; the first of them:

  • 4UGY · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · EXI A904 · binds HIS128, GLN129, ARG132, PRO216, ILE218, PHE235, ASN236, GLY237 and 8 more
  • 4UH1 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · EXI A800 · binds GLN478, ILE480, ARG481, TYR562, PRO565, ALA566, VAL567, PHE584 and 8 more
  • 4UH5 · Structure of human nNOS R354A G357D mutant heme domain in complex with… · EXI A800 · binds GLN483, ARG486, TYR567, PRO570, ALA571, VAL572, PHE589, SER590 and 8 more
  • 4UH8 · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · EXI A800 · binds VAL106, GLN249, PRO336, VAL338, PHE355, SER356, GLY357, TRP358 and 5 more
  • 5G0N · Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with… · EXI A800 · binds MET336, GLN478, ARG481, PRO565, VAL567, PHE584, SER585, GLY586 and 6 more
  • 4UGY · Structure of bacillus subtilis nitric oxide synthase in complex with… · EXI A904 · binds HIS128, GLN129, ARG132, PRO216, ILE218, PHE235, ASN236, GLY237 and 8 more
  • 4UH1 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · EXI A800 · binds GLN478, ILE480, ARG481, TYR562, PRO565, ALA566, VAL567, PHE584 and 8 more
  • 4UH5 · Structure of human nnos R354A G357D mutant heme domain in complex with… · EXI A800 · binds GLN483, ARG486, TYR567, PRO570, ALA571, VAL572, PHE589, SER590 and 8 more
  • 4UH8 · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · EXI A800 · binds VAL106, GLN249, PRO336, VAL338, PHE355, SER356, GLY357, TRP358 and 5 more
  • 5G0N · Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with… · EXI A800 · binds MET336, GLN478, ARG481, PRO565, VAL567, PHE584, SER585, GLY586 and 6 more

Residues it binds most

ARG 14, TYR 18, TRP 18, MET 18, VAL 16, GLN 18, GLU 18, GLY 18, PHE 18, PRO 18 (residue and the binding sites it lines).

Found with

  • H4B · 5,6,7,8-tetrahydrobiopterin
  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • ACT · Acetate ion
  • CL · Chloride ion
  • GOL · Glycerol

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