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Ligand · INE

INE · 3-bromo-7-nitroindazole

INE, 3-bromo-7-nitroindazole (C7 H4 Br N3 O2, 242.0 g/mol), in the MolNFT structures on GenesisL1: bound in 12 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
INE
Formula
C7 H4 Br N3 O2
Class
ligand
Structures
12
PDB entries
6

Binding sites

INE in 12 structures; the first of them:

  • 1D0C · Bovine endothelial nitric oxide synthase heme domain complexed with… · INE A760 · binds PRO336, VAL338, PHE355, SER356, GLY357, TRP358, TYR359, MET360 and 1 more
  • 1D0O · Bovine endothelial nitric oxide synthase heme domain complexed with… · INE A760 · binds PRO336, VAL338, PHE355, SER356, GLY357, TRP358, TYR359, MET360 and 1 more
  • 1M9R · human endothelial nitric oxide synthase with 3-Bromo-7-Nitroindazole bound · INE A906 · binds PRO334, VAL336, PHE353, SER354, GLY355, TRP356, TYR357, MET358 and 1 more
  • 1M9T · Inducible Nitric Oxide Synthase with 3-Bromo-7-Nitroindazole bound · INE A906 · binds GLN257, PRO344, VAL346, PHE363, ASN364, GLY365, TRP366, TYR367 and 2 more
  • 1OM5 · Structure of rat neuronal nos heme domain with 3-bromo-7-nitroindazole bound · INE A790 · binds PRO565, VAL567, PHE584, SER585, GLY586, TRP587, TYR588, MET589 and 1 more
  • 4UQS · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · INE A904 · binds PRO216, ILE218, PHE235, ASN236, GLY237, TRP238, TYR239, MET240 and 1 more
  • 1D0C · Bovine endothelial nitric oxide synthase heme domain complexed with 3… · INE A760 · binds PRO336, VAL338, PHE355, SER356, GLY357, TRP358, TYR359, MET360 and 1 more
  • 1D0O · Bovine endothelial nitric oxide synthase heme domain complexed with 3… · INE A760 · binds PRO336, VAL338, PHE355, SER356, GLY357, TRP358, TYR359, MET360 and 1 more
  • 1M9R · Human endothelial nitric oxide synthase with 3-bromo-7- nitroindazole bound · INE A906 · binds PRO334, VAL336, PHE353, SER354, GLY355, TRP356, TYR357, MET358 and 1 more
  • 1M9T · Inducible nitric oxide synthase with 3-bromo-7-nitroindazole bound · INE A906 · binds GLN257, PRO344, VAL346, PHE363, ASN364, GLY365, TRP366, TYR367 and 2 more
  • 1OM5 · Structure of rat neuronal nos heme domain with 3-bromo-7- nitroindazole bound · INE A790 · binds PRO565, VAL567, PHE584, SER585, GLY586, TRP587, TYR588, MET589 and 1 more
  • 4UQS · Structure of bacillus subtilis nitric oxide synthase in complex with… · INE A904 · binds PRO216, ILE218, PHE235, ASN236, GLY237, TRP238, TYR239, MET240 and 1 more

Residues it binds most

TRP 34, GLU 34, PHE 34, VAL 32, SER 28, GLY 22, MET 22, PRO 22, TYR 22, GLN 16 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • ACT · Acetate ion
  • CAD · Cacodylic acid
  • H4B · 5,6,7,8-tetrahydrobiopterin
  • GOL · Glycerol
  • CL · Chloride ion
  • BOG · octyl beta-D-glucopyranoside
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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