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Ligand · JI1

JI1 · 3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol

JI1, 3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol (C13 H22 N4 O, 250.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
JI1
Formula
C13 H22 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

JI1 in 2 structures; the first of them:

  • 3B3M · Structure of neuronal NOS heme domain in complex with a inhibitor… · JI1 A800 · binds MET336, GLN478, PRO565, VAL567, PHE584, GLY586, TRP587, TYR588 and 3 more
  • 3B3M · Structure of neuronal nos heme domain in complex with a inhibitor… · JI1 A800 · binds MET336, GLN478, PRO565, VAL567, PHE584, GLY586, TRP587, TYR588 and 3 more

Residues it binds most

TRP 4, MET 4, GLN 4, GLU 4, PHE 4, PRO 4, TYR 4, VAL 4, GLY 2 (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

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