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Ligand · H36

H36 · N,N'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide

H36, N,N'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide (C24 H22 N4 O2 S2, 462.6 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…

Component
H36
Formula
C24 H22 N4 O2 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

H36 in 4 structures; the first of them:

  • 4KCJ · Structure of neuronal nitric oxide synthase heme domain in complex with… · H36 A804 · binds SER477, GLN478, ARG481, ALA497, ASN498, PRO565, ALA566, VAL567 and 10 more
  • 4UGS · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · H36 A904 · binds HIS128, PRO216, ILE218, ASP220, PHE235, ASN236, GLY237, TRP238 and 7 more
  • 4KCJ · Structure of neuronal nitric oxide synthase heme domain in complex with… · H36 A804 · binds SER477, GLN478, ARG481, ALA497, ASN498, PRO565, ALA566, VAL567 and 10 more
  • 4UGS · Structure of bacillus subtilis nitric oxide synthase in complex with… · H36 A904 · binds HIS128, PRO216, ILE218, ASP220, PHE235, ASN236, GLY237, TRP238 and 7 more

Residues it binds most

SER 4, TRP 6, ALA 4, ARG 4, TYR 6, ASN 6, ASP 6, GLN 6, GLU 6, GLY 6 (residue and the binding sites it lines).

Found with

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

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