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Ligand · DP3

DP3 · N-{(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl}-N'-nitroguanidine

DP3, N-{(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl}-N'-nitroguanidine (C8 H21 N7 O2, 247.3 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 residues…

Component
DP3
Formula
C8 H21 N7 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

DP3 in 4 structures; the first of them:

  • 1P6I · Rat neuronal NOS heme domain with (4S)-N-(4-amino-5-[aminoethyl]aminopentyl)-N'-nitroguani… · DP3 A793 · binds GLN478, PRO565, VAL567, PHE584, SER585, GLY586, TRP587, TYR588 and 2 more
  • 1P6M · Bovine endothelial NOS heme domain with (4S)-N-(4-amino-5-[aminoethyl]aminopentyl)-N'-nitr… · DP3 A793 · binds VAL106, GLN249, PRO336, VAL338, PHE355, SER356, GLY357, TRP358 and 3 more
  • 1P6I · Rat neuronal nos heme domain with (4S)-N-(4-amino-5… · DP3 A793 · binds GLN478, PRO565, VAL567, PHE584, SER585, GLY586, TRP587, TYR588 and 2 more
  • 1P6M · Bovine endothelial nos heme domain with (4S)-N-(4-amino-5… · DP3 A793 · binds VAL106, GLN249, PRO336, VAL338, PHE355, SER356, GLY357, TRP358 and 3 more

Residues it binds most

TRP 8, VAL 8, GLN 8, GLU 8, GLY 8, PHE 8, PRO 8, SER 8, TYR 8 (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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