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Ligand · 5NI

5NI · 5-nitroindazole

5NI, 5-nitroindazole (C7 H5 N3 O2, 163.1 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
5NI
Formula
C7 H5 N3 O2
Class
ligand
Structures
6
PDB entries
3

Binding sites

5NI in 6 structures; the first of them:

  • 1M8I · inducible nitric oxide synthase with 5-nitroindazole bound · 5NI A906 · binds PRO344, VAL346, PHE363, ASN364, GLY365, TRP366, TYR367, MET368 and 1 more
  • 1M9Q · human endothelial nitric oxide synthase with 5-nitroindazole bound · 5NI A907 · binds PRO334, VAL336, PHE353, TRP356, TYR357, MET358, GLU361
  • 4LM0 · Crystal structure of PDE10A2 with fragment ZT448 · 5NI A900 · binds LEU635, ILE692, PHE696, MET713, GLN726, PHE729
  • 1M8I · Inducible nitric oxide synthase with 5-nitroindazole bound · 5NI A906 · binds PRO344, VAL346, PHE363, ASN364, GLY365, TRP366, TYR367, MET368 and 1 more
  • 1M9Q · Human endothelial nitric oxide synthase with 5- nitroindazole bound · 5NI A907 · binds PRO334, VAL336, PHE353, TRP356, TYR357, MET358, GLU361
  • 4LM0 · Crystal structure of PDE10A2 with fragment ZT448 · 5NI A900 · binds LEU635, ILE692, PHE696, MET713, GLN726, PHE729

Residues it binds most

PHE 10, MET 10, GLU 8, PRO 8, TRP 8, TYR 8, VAL 8, GLY 6, ASN 4, GLN 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • H4B · 5,6,7,8-tetrahydrobiopterin
  • NI · Nickel (II) ion
  • ZN · Zinc ion
  • IPA · Isopropyl alcohol
  • MPD · (4S)-2-methyl-2,4-pentanediol

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