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Ligand · 6NI

6NI · 6-nitroindazole

6NI, 6-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
6NI
Formula
C7 H5 N3 O2
Class
ligand
Structures
6
PDB entries
3

Binding sites

6NI in 6 structures; the first of them:

  • 1M8H · inducible nitric oxide synthase with 6-nitroindazole bound · 6NI A906 · binds PRO344, VAL346, PHE363, ASN364, GLY365, TRP366, TYR367, MET368 and 1 more
  • 1M9M · human endothelial nitric oxide synthase with 6-nitroindazole bound · 6NI A906 · binds PRO334, VAL336, PHE353, SER354, GLY355, TRP356, TYR357, MET358 and 1 more
  • 4N96 · E. coli sliding clamp in complex with 6-nitroindazole · 6NI A401 · binds THR172, GLY174, HIS175, ARG176, LEU177, PRO242, VAL247, SER346 and 3 more
  • 1M8H · Inducible nitric oxide synthase with 6-nitroindazole bound · 6NI A906 · binds PRO344, VAL346, PHE363, ASN364, GLY365, TRP366, TYR367, MET368 and 1 more
  • 1M9M · Human endothelial nitric oxide synthase with 6- nitroindazole bound · 6NI A906 · binds PRO334, VAL336, PHE353, SER354, GLY355, TRP356, TYR357, MET358 and 1 more
  • 4N96 · E. COLI sliding clamp in complex with 6-nitroindazole · 6NI A401 · binds THR172, GLY174, HIS175, ARG176, LEU177, PRO242, VAL247, SER346 and 3 more

Residues it binds most

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

Found with

  • HEM · Protoporphyrin IX containing Fe
  • H4B · 5,6,7,8-tetrahydrobiopterin
  • CA · Calcium ion
  • NA · Sodium ion
  • ZN · Zinc ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • IPA · Isopropyl alcohol
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • PEG · Di(hydroxyethyl)ether

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