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Ligand · 3PK

3PK · (2S)-1-(pentanoyloxy)propan-2-yl hexanoate

3PK, (2S)-1-(pentanoyloxy)propan-2-yl hexanoate (C14 H26 O4, 258.4 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
3PK
Formula
C14 H26 O4
Class
ligand
Structures
5
PDB entries
3

Binding sites

3PK in 5 structures; the first of them:

  • 4K7R · Crystal structures of CusC review conformational changes accompanying folding and… · 3PK A501 · binds CYS1, PHE119, PHE120, ILE291
  • 4MT4 · Crystal structure of the Campylobacter jejuni CmeC outer membrane channel · 3PK A1008 · binds CYS1, SER2, LEU3, TRP127, LEU297
  • 4K7R · Crystal structures of cusc review conformational changes accompanying folding and… · 3PK A501 · binds CYS1, PHE119, PHE120, ILE291
  • 4MT4 · Crystal structure of the campylobacter jejuni cmec outer membrane channel · 3PK A1008 · binds CYS1, SER2, LEU3, TRP127, LEU297
  • 5AZP · Crystal structure of a membrane protein from pseudomonas aeruginosa · 3PK A501 · binds CYS1, PHE121

Residues it binds most

CYS 10, LEU 7, PHE 6, ILE 4, TRP 4, ASP 2, SER 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • C8E · (hydroxyethyloxy)tri(ethyloxy)octane
  • OYA · Octanal
  • NA · Sodium ion
  • ACT · Acetate ion
  • BOG · octyl beta-D-glucopyranoside
  • FMT · Formic acid
  • GOL · Glycerol

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