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Ligand · PCA

PCA · Pyroglutamic acid

PCA, Pyroglutamic acid (C5 H7 N O3, 129.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
PCA
Formula
C5 H7 N O3
Class
ligand
Structures
4
PDB entries
4

Binding sites

PCA in 4 structures; the first of them:

  • 6WGM · Crystal structure of a marine metagenome TRAP solute binding protein specific for… · PCA A401 · binds TYR31, PHE87, TRP141, GLN144, ARG164, TYR166, ALA186, ILE202 and 4 more
  • 8AK5 · Human Sirt6 in complex with ADP-ribose and fragment pyroglutamic acid · PCA A403 · binds ALA53, ILE61, PRO62, ASP63, PHE64, VAL70, PHE82, PHE86 and 3 more
  • 8V2V · Solution NMR structure of recifin A [Y6F] · PCA A101 · binds GLU2, ALA3
  • 8WCH · Crystal structure of SAR11_0655 bound to a co-purified ligand, L-pyroglutamate · PCA A501 · binds TYR114, TYR115, SER116, GLU137, SER138, THR139, SER140, TRP192 and 5 more

Residues it binds most

SER 3, TYR 3, PHE 3, ALA 6, ARG 3, ASP 2, VAL 2, GLU 3, ILE 3, PRO 3 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • AR6 · [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
  • NA · Sodium ion
  • ZN · Zinc ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • FMT · Formic acid
  • PEG · Di(hydroxyethyl)ether
  • PGE · Triethylene glycol

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