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Ligand · JI2

JI2 · N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine

JI2, N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine (C12 H21 N5, 235.3 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
JI2
Formula
C12 H21 N5
Class
ligand
Structures
4
PDB entries
2

Binding sites

JI2 in 4 structures; the first of them:

  • 3B3N · Structure of neuronal NOS heme domain in complex with a inhibitor… · JI2 A800 · binds GLN478, PRO565, VAL567, PHE584, GLY586, TRP587, TYR588, MET589 and 1 more
  • 3DQR · Structure of neuronal NOS D597N/M336V mutant heme domain in complex with a inhibitor… · JI2 A800 · binds GLN478, PRO565, VAL567, PHE584, GLY586, TRP587, TYR588, MET589 and 2 more
  • 3B3N · Structure of neuronal nos heme domain in complex with a inhibitor… · JI2 A800 · binds GLN478, PRO565, VAL567, PHE584, GLY586, TRP587, TYR588, MET589 and 1 more
  • 3DQR · Structure of neuronal nos D597N/M336V mutant heme domain in complex with a inhibitor… · JI2 A800 · binds GLN478, PRO565, VAL567, PHE584, GLY586, TRP587, TYR588, MET589 and 2 more

Residues it binds most

TRP 8, GLN 8, GLU 8, GLY 8, MET 8, PHE 8, PRO 8, TYR 8, VAL 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

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