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Ligand · ETX

ETX · 2-ethoxyethanol

ETX, 2-ethoxyethanol (C4 H10 O2, 90.1 g/mol), in the MolNFT structures on GenesisL1: bound in 20 records (15 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
ETX
Formula
C4 H10 O2
Class
ligand
Structures
20
PDB entries
15

Binding sites

ETX in 20 structures; the first of them:

  • 5LTE · Crystal structure of the alpha subunit of heme dependent oxidative N-demethylase (HODM) · ETX A502 · binds GLU33, MET37, SER39
  • 5NUE · Cytosolic Malate Dehydrogenase 1 (peroxide-treated) · ETX A411 · binds GLN167, GLU170, ARG231, SME56, ILE59
  • 5OIM · InhA (T2A mutant) complexed with ethyl 2-methyl-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carbo… · ETX A303 · binds SER19, HIS24, ILE194, LYS233, ASP234, ALA235, THR236
  • 5OIR · InhA (T2A mutant) complexed with 2,6-Dimethyl-3-(1-(pyrimidin-2-yl)piperidin-4-yl)pyridin… · ETX A303 · binds MET103, GLY104, PHE149, MET155, ALA157, TYR158, ILE202, LEU207 and 2 more
  • 6HB8 · Crystal structure of OXA-517 beta-lactamase · ETX A303 · binds VAL92, ARG107, ASP108, HIS109, ASN110, THR113, ASP229, ASP230
  • 7U1N · Crystal structure of the Anopheles darlingi AD-118 long form D7 salivary protein · ETX A301 · binds ASN220, ARG221, GLY222, ASP223, GLU22, HIS23, HIS48, CYS52
  • 5LTE · Crystal structure of the alpha subunit of heme dependent oxidative N- demethylase (hodm) · ETX A502 · binds GLU33, MET37, SER39
  • 5NUE · Cytosolic malate dehydrogenase 1 (peroxide-treated) · ETX A411 · binds GLN167, GLU170, ARG231, SME56, ILE59
  • 5OIC · Inha (T2A mutant) complexed with (4-((1H-pyrazol-1-YL)METHYL)PHENYL) methanol · ETX A303 · binds SER19, HIS24, ILE194, LYS233, ASP234, ALA235, THR236
  • 5OIL · Inha (T2A mutant) complexed with 1-cyclohexyl-3-(pyridin-3-ylmethyl) urea · ETX A303 · binds SER19, HIS24, ARG195, LYS233, ASP234, ALA235
  • 5OIM · Inha (T2A mutant) complexed with ethyl 2-methyl-4,5,6,7… · ETX A303 · binds SER19, HIS24, ILE194, LYS233, ASP234, ALA235, THR236
  • 5OIR · Inha (T2A mutant) complexed with 2,6-dimethyl-3-(1-(pyrimidin-2-yl)… · ETX A303 · binds MET103, GLY104, PHE149, MET155, ALA157, TYR158, ILE202, LEU207 and 2 more
  • 5OV9 · Crystal structure of acetylcholinesterase in complex with crystal violet · ETX A604 · binds VAL303, ASP304, GLY305, SER309
  • 6CJ6 · Structure of the poxvirus protein F9 · ETX A250 · binds ILE166
  • 6HB8 · Crystal structure of oxa-517 beta-lactamase · ETX A303 · binds VAL92, ARG107, ASP108, HIS109, THR113, ASP229
  • 6IHD · Crystal structure of malate dehydrogenase from metallosphaera sedula · ETX A402 · binds ARG47, PHE50, ILE55, LYS56, ALA154, LYS155, ILE159, PRO160 and 1 more
  • 6V4C · Culex quinquefasciatus D7 long form 1- CXD7L1 in complex with ADP · ETX A306 · binds GLU292

Residues it binds most

SER 19, ASP 13, ILE 12, LYS 13, ARG 12, ALA 10, GLU 11, HIS 9, LEU 8, THR 10 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • NAD · Nicotinamide-adenine-dinucleotide
  • GOL · Glycerol
  • SO4 · Sulfate ion
  • PEG · Di(hydroxyethyl)ether
  • NA · Sodium ion
  • PG0 · 2-(2-methoxyethoxy)ethanol
  • 9VZ · ethyl (6~{R})-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
  • 9W8 · 2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{H}-pyridin-4-one
  • HEM · Protoporphyrin IX containing Fe
  • PEO · Hydrogen peroxide
  • ZN · Zinc ion

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