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Ligand · ITU

ITU · Ethylisothiourea

ITU, Ethylisothiourea (C3 H8 N2 S, 104.2 g/mol), in the MolNFT structures on GenesisL1: bound in 18 records (9 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
ITU
Formula
C3 H8 N2 S
Class
ligand
Structures
18
PDB entries
9

Binding sites

ITU in 18 structures; the first of them:

  • 1DF1 · Murine inosoxy dimer with isothiourea bound in the active site · ITU A899 · binds PRO344, VAL346, PHE363, ASN364, GLY365, TRP366, TYR367, MET368 and 1 more
  • 1DMI · Bovine endothelial nitric oxide synthase heme domain complexed with 6S-H4B · ITU A1800 · binds PRO336, ALA337, VAL338, PHE355, SER356, GLY357, TRP358, TYR359 and 2 more
  • 1DMJ · Bovine endothelial nitric oxide synthase heme domain complexed with… · ITU A1800 · binds PRO336, ALA337, VAL338, PHE355, SER356, GLY357, TRP358, TYR359 and 2 more
  • 1DMK · Bovine endothelial nitric oxide synthase heme domain complexed with… · ITU A1800 · binds PRO336, ALA337, VAL338, PHE355, SER356, GLY357, TRP358, TYR359 and 2 more
  • 1MJT · Crystal structure of sanos, a bacterial nitric oxide synthase oxygenase protein, in… · ITU A800 · binds PRO203, ILE205, PHE222, ASN223, GLY224, TRP225, TYR226, GLU230
  • 1NSE · Bovine endothelial nitric oxide synthase · ITU A800 · binds PRO336, ALA337, VAL338, PHE355, SER356, GLY357, TRP358, TYR359 and 2 more
  • 2NSI · Human inducible nitric oxide synthase, zn-free, seitu complex · ITU A800 · binds PRO350, VAL352, PHE369, ASN370, GLY371, TRP372, TYR373, GLU377
  • 3NSE · Bovine enos, H4B-free, seitu complex · ITU A800 · binds PRO336, ALA337, VAL338, PHE355, SER356, GLY357, TRP358, TYR359 and 2 more
  • 4NOS · Human inducible nitric oxide synthase with inhibitor · ITU A512 · binds PRO350, VAL352, PHE369, ASN370, GLY371, TRP372, TYR373, GLU377
  • 1DF1 · Murine inosoxy dimer with isothiourea bound in the active site · ITU A899 · binds PRO344, VAL346, PHE363, ASN364, GLY365, TRP366, TYR367, MET368 and 1 more
  • 1DMI · Bovine endothelial nitric oxide synthase heme domain complexed with 6S-H4B · ITU A1800 · binds PRO336, ALA337, VAL338, PHE355, SER356, GLY357, TRP358, TYR359 and 2 more
  • 1DMJ · Bovine endothelial nitric oxide synthase heme domain complexed with 5… · ITU A1800 · binds PRO336, ALA337, VAL338, PHE355, SER356, GLY357, TRP358, TYR359 and 2 more
  • 1DMK · Bovine endothelial nitric oxide synthase heme domain complexed with 4… · ITU A1800 · binds PRO336, ALA337, VAL338, PHE355, SER356, GLY357, TRP358, TYR359 and 2 more
  • 1MJT · Crystal structure of sanos, a bacterial nitric oxide synthase oxygenase protein, in… · ITU A800 · binds PRO203, ILE205, PHE222, ASN223, GLY224, TRP225, TYR226, GLU230
  • 1NSE · Bovine endothelial nitric oxide synthase · ITU A800 · binds PRO336, ALA337, VAL338, PHE355, SER356, GLY357, TRP358, TYR359 and 2 more
  • 2NSI · Human inducible nitric oxide synthase, zn-free, seitu complex · ITU A800 · binds PRO350, VAL352, PHE369, ASN370, GLY371, TRP372, TYR373, GLU377
  • 3NSE · Bovine enos, H4B-free, seitu complex · ITU A800 · binds PRO336, ALA337, VAL338, PHE355, SER356, GLY357, TRP358, TYR359 and 2 more

Residues it binds most

GLU 44, PHE 44, PRO 44, TRP 44, TYR 44, GLY 42, VAL 40, MET 26, ALA 20, SER 20 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • ACT · Acetate ion
  • CAC · Cacodylate ion
  • H4B · 5,6,7,8-tetrahydrobiopterin
  • GOL · Glycerol
  • AP4 · 7-amino-3,3A,4,5-tetrahydro-8H-2-oxa-5,6,8,9B-tetraaza-cyclopenta[a]naphthalene-1,9-dione
  • AP6 · 2,4-diamino-6-phenyl-5,6,7,8,-tetrahydropteridine
  • ARG · Arginine
  • BHS · 6S-5,6,7,8-tetrahydrobiopterin
  • H2B · 2-amino-6-(1,2-dihydroxy-propyl)-7,8-dihydro-6H-pteridin-4-one
  • NAD · Nicotinamide-adenine-dinucleotide

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