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Ligand · PXN

PXN · (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol

PXN, (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol (C17 H36 O8, 368.5 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (4 PDB entries). Every binding site with its…

Component
PXN
Formula
C17 H36 O8
Class
ligand
Structures
7
PDB entries
4

Binding sites

PXN in 7 structures; the first of them:

  • 6QMM · Crystal structure of Synecochoccus Spermidine Synthase in complex with putrescine… · PXN B303 · binds THR75, ALA77, PRO185, GLY186, ASP239, THR240, GLN243, LYS246 and 1 more
  • 6YTM · Human Brd2(BD2) L383V mutant in complex with ET-JQ1-OMe · PXN A502 · binds ASP407
  • 6ZYZ · Structure of the borneol dehydrogenases of Salvia rosmarinus with NAD+ · PXN A301 · binds PRO100, ASN101, SER102, ASP105, GLY153, ALA155, HIS157, SER172 and 6 more
  • 9F23 · DARPin eGFP complex DP2 (2G156) · PXN C302 · binds ASP19, GLY20, ASP21, LYS107, THR108, ARG109, GLU124, LEU125 and 1 more
  • 6QMM · Crystal structure of synecochoccus spermidine synthase in complex with putrescine… · PXN B303 · binds THR75, ALA77, PRO185, GLY186, ASP239, THR240, GLN243
  • 6YTM · Human BRD2(BD2) L383V mutant in complex with et-JQ1-ome · PXN A502 · binds ASP407
  • 6ZYZ · Structure of the borneol dehydrogenases of salvia rosmarinus with NAD+ · PXN A301 · binds PRO100, ASN101, SER102, ASP105, GLY153, SER172, VAL175, GLU176 and 3 more

Residues it binds most

ASP 9, SER 4, PRO 8, THR 6, GLY 7, VAL 6, ALA 5, GLU 5, ASN 4, ILE 4 (residue and the binding sites it lines).

Found with

  • MTA · 5'-deoxy-5'-methylthioadenosine
  • NAD · Nicotinamide-adenine-dinucleotide
  • PMW · Methyl (R)-2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)butanoate
  • PUT · 1,4-diaminobutane
  • SPD · Spermidine
  • CL · Chloride ion
  • A1H87 · 2-[[(2S)-2-oxidanylpropoxy]methyl]-2-[[(2S)-2-[(2S)-2-oxidanylpropoxy]propoxy]methyl]propane-1,3-diol
  • NA · Sodium ion
  • EDO · 1,2-ethanediol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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