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Ligand · PPE

PPE · 4-[(1,3-dicarboxy-propylamino)-methyl]-3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridinium

PPE, 4-[(1,3-dicarboxy-propylamino)-methyl]-3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridinium (C13 H20 N2 O9 P +1, 379.3 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its…

Component
PPE
Formula
C13 H20 N2 O9 P +1
Class
ligand
Structures
8
PDB entries
4

Binding sites

PPE in 8 structures; the first of them:

  • 1AKC · Structural basis for the catalytic activity of aspartate aminotransferase K258H lacking… · PPE A411 · binds ILE17, LEU18, GLY36, VAL37, GLY38, SER107, GLY108, THR109 and 14 more
  • 1GEY · Crystal structure of histidinol-phosphate aminotransferase complexed with… · PPE A413 · binds ASN35, ALA36, ASN37, GLY83, ALA84, ASP85, TYR110, TYR113 and 11 more
  • 1WKH · Acetylornithine aminotransferase from thermus thermophilus HB8 · PPE A513 · binds TYR54, SER112, GLY113, THR114, ASN117, PHE140, SER141, GLY142 and 11 more
  • 2EJ2 · Crystal Structure of T.th.HB8 Branched-Chain Amino Acid Aminotransferase Complexed with… · PPE A3413 · binds GLY38, HIS56, ARG59, TYR95, ARG97, ARG148, LYS159, TYR164 and 19 more
  • 1AKC · Structural basis for the catalytic activity of aspartate aminotransferase K258H lacking… · PPE A411 · binds ILE17, LEU18, GLY36, VAL37, GLY38, SER107, GLY108, THR109 and 14 more
  • 1GEY · Crystal structure of histidinol-phosphate aminotransferase complexed with… · PPE A413 · binds ASN35, ALA36, ASN37, GLY83, ALA84, ASP85, TYR110, TYR113 and 11 more
  • 1WKH · Acetylornithine aminotransferase from thermus thermophilus HB8 · PPE A513 · binds TYR54, SER112, GLY113, THR114, ASN117, PHE140, SER141, GLY142 and 11 more
  • 2EJ2 · Crystal structure of T.TH.HB8 branched-chain amino acid aminotransferase complexed with… · PPE A3413 · binds GLY38, HIS56, ARG59, TYR95, ARG97, ARG148, LYS159, TYR164 and 19 more

Residues it binds most

GLY 20, ARG 20, THR 20, TYR 20, GLU 16, SER 20, LEU 16, ASN 20, ALA 16, HIS 14 (residue and the binding sites it lines).

Found with

  • MPD · (4S)-2-methyl-2,4-pentanediol

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