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Ligand · 3HX

3HX · (4S)-N-{4-amino-5-[(2-aminoethyl)(hydroxyamino]-pentyl}-N'-nitroguanidine

3HX, (4S)-N-{4-amino-5-[(2-aminoethyl)(hydroxyamino]-pentyl}-N'-nitroguanidine (C8 H21 N7 O3, 263.3 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…

Component
3HX
Formula
C8 H21 N7 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

3HX in 4 structures; the first of them:

  • 2HX2 · Bovine eNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pen… · 3HX A793 · binds SER248, GLN249, PRO336, VAL338, ASN340, MET341, PHE355, SER356 and 5 more
  • 2HX3 · Rat nNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl… · 3HX A793 · binds GLN478, PRO565, VAL567, PHE584, SER585, GLY586, TRP587, TYR588 and 2 more
  • 2HX2 · Bovine enos heme domain complexed with (4S)-N-{4-amino-5-[(2… · 3HX A793 · binds SER248, GLN249, PRO336, VAL338, ASN340, MET341, PHE355, SER356 and 5 more
  • 2HX3 · Rat nnos heme domain complexed with (4S)-N-{4-amino-5-[(2-aminoethyl)… · 3HX A793 · binds GLN478, PRO565, VAL567, PHE584, SER585, GLY586, TRP587, TYR588 and 2 more

Residues it binds most

SER 8, TRP 8, TYR 8, GLN 8, GLU 8, GLY 8, PHE 8, PRO 8, VAL 8, ASN 4 (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
  • CAC · Cacodylate ion
  • GOL · Glycerol

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