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Ligand · PEA

PEA · 2-phenylethylamine

PEA, 2-phenylethylamine (C8 H12 N +1, 122.2 g/mol), in the MolNFT structures on GenesisL1: bound in 13 records (13 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
PEA
Formula
C8 H12 N +1
Class
ligand
Structures
13
PDB entries
13

Binding sites

PEA in 13 structures; the first of them:

  • 1D6U · Crystal structure of E. COLI amine oxidase anaerobically reduced with… · PEA A2003 · binds ASP102, GLU103, GLN106, LEU169
  • 1D6Y · Crystal structure of E. COLI copper-containing amine oxidase anaerobically reduced with… · PEA A2003 · binds ASP102, GLU103, GLN106, LEU169
  • 1D6Z · Crystal structure of the aerobically freeze trapped rate-determining catalytic… · PEA A2003 · binds ASP102, GLU103, GLN106, LEU169
  • 1TNJ · Prediction of novel serine protease inhibitors · PEA A900 · binds TYR172, ASP189, SER190, CYS191, GLN192, SER195, VAL213, TRP215 and 9 more
  • 1UTM · Trypsin specificity as elucidated by LIE calculations, X-ray structures and association… · PEA A246 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214, TRP215 and 4 more
  • 1UTO · Trypsin specificity as elucidated by LIE calculations, X-ray structures and association… · PEA A1246 · binds HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 4 more
  • 5GI6 · Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase Bound to CoA… · PEA A301 · binds PHE43, GLU47, LEU49, ASN50, LEU61, TYR64, PHE114, ILE117 and 5 more
  • 8IW7 · Cryo-EM structure of the PEA-bound mTAAR9-Gs complex · PEA R401 · binds ASP112, THR113, CYS116, CYS202, TYR274, VAL297, VAL300, TYR301
  • 8IWM · Cryo-EM structure of the PEA-bound mTAAR9 complex · PEA R401 · binds ASP112, THR113, CYS116, CYS202, TYR274, VAL297, VAL300, TYR301
  • 8J6G · Neutron structure of copper amine oxidase from Arthrobacter globiformis anaerobically… · PEA A703 · binds PHE105, ALA135, PRO136, LEU137, TRP168, TYR296, ASP298, TYR302 and 4 more
  • 8W89 · Cryo-EM structure of the PEA-bound TAAR1-Gs complex · PEA R401 · binds ASP103, ILE104, SER107, VAL184, PHE186, THR194, SER198, TRP264 and 3 more
  • 8WC6 · Cryo-EM structure of the PEA-bound mTAAR1-Gs complex · PEA R401 · binds ASP102, ILE103, SER106, PRO183, PHE185, PHE264, PHE265, TYR291
  • 8WCA · Cryo-EM structure of the PEA-bound hTAAR1-Gs complex · PEA R401 · binds ASP103, ILE104, SER107, PHE186, THR194, TRP264, PHE267, PHE268 and 2 more

Residues it binds most

SER 7, PHE 5, ASP 12, TYR 8, GLY 4, CYS 5, VAL 6, ILE 5, LEU 5, GLN 6 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • CU · Copper (II) ion
  • GOL · Glycerol
  • HY1 · Phenylacetaldehyde
  • COA · Coenzyme A
  • PEO · Hydrogen peroxide
  • NA · Sodium ion
  • NO · Nitric oxide

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