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Ligand · 3PL

3PL · 3-phenylpropanal

3PL, 3-phenylpropanal (C9 H10 O, 134.2 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 with it.

Component
3PL
Formula
C9 H10 O
Class
ligand
Structures
12
PDB entries
6

Binding sites

3PL in 12 structures; the first of them:

  • 1Y3G · Crystal Structure of a Silanediol Protease Inhibitor Bound to Thermolysin · 3PL E803 · binds TYR110, ASN112, ALA113, PHE114, AMM804, LEU805
  • 2XAH · Crystal structure of LSD1-CoREST in complex with (+)-trans-2- phenylcyclopropyl-1-amine · 3PL A901 · binds MET332, VAL333, PHE538, ALA539, LEU659, TRP695, TYR761, ALA809
  • 2XCG · Tranylcypromine-inhibited human monoamine oxidase B in complex with 2… · 3PL A601 · binds TYR60, CYS172, TYR188, GLY205, GLN206, PHE343, TYR398, GLY434 and 1 more
  • 2XFO · tranylcypromine-inhibited human monoamine oxidase B Ile199Ala mutant in complex with… · 3PL A1503 · binds TYR60, CYS172, TYR188, GLN206, PHE343, TYR398, GLY434, TYR435
  • 2XFU · Human monoamine oxidase B with tranylcypromine · 3PL A601 · binds TYR60, CYS172, TYR188, GLY205, GLN206, PHE343, TYR398, GLY434 and 1 more
  • 4US9 · Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with 3… · 3PL A912 · binds ILE255, THR256, PHE257, PRO258, HIS752, CYS753, ALA755
  • 1Y3G · Crystal structure of a silanediol protease inhibitor bound to thermolysin · 3PL E803 · binds TYR110, ASN112, ALA113, PHE114, AMM804, LEU805
  • 2XAH · Crystal structure of LSD1-corest in complex with (+)- trans-2-phenylcyclopropyl-1-amine · 3PL A901 · binds MET332, VAL333, PHE538, ALA539, LEU659, TRP695, TYR761, ALA809
  • 2XCG · Tranylcypromine-inhibited human monoamine oxidase B in complex with 2… · 3PL A601 · binds TYR60, CYS172, TYR188, GLY205, GLN206, PHE343, TYR398, GLY434 and 1 more
  • 2XFO · Tranylcypromine-inhibited human monoamine oxidase B ILE199ALA mutant in complex with… · 3PL A1503 · binds TYR60, CYS172, TYR188, GLN206, PHE343, TYR398, GLY434, TYR435
  • 2XFU · Human monoamine oxidase B with tranylcypromine · 3PL A601 · binds TYR60, CYS172, TYR188, GLY205, GLN206, PHE343, TYR398, GLY434 and 1 more
  • 4US9 · Aldehyde oxidoreductase from desulfovibrio gigas (mop), soaked with 3… · 3PL A912 · binds ILE255, THR256, PHE257, PRO258, HIS752, CYS753, ALA755

Residues it binds most

TYR 16, GLY 12, PHE 18, CYS 14, GLN 12, ALA 6, LEU 4, AMM 2, ASN 2, HIS 2 (residue and the binding sites it lines).

Found with

  • FA8 · [[(2R,3S,4S)-5-[(4AS)-7,8-dimethyl-2,4-dioxo-4A,5-dihydrobenzo[g]pteridin-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • FAD · Flavin-adenine dinucleotide
  • XCG · 2-(2-benzofuranyl)-2-imidazoline
  • BCT · Bicarbonate ion
  • C15 · N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
  • FES · Fe2/s2 (inorganic) cluster
  • PCD · (molybdopterin-cytosine dinucleotide-S,S)-dioxo-aqua-molybdenum(v)
  • CA · Calcium ion
  • MG · Magnesium ion
  • ZN · Zinc ion
  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide

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