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Ligand · PDA

PDA · 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-propionic acid

PDA, 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-propionic acid (C11 H17 N2 O7 P, 320.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues…

Component
PDA
Formula
C11 H17 N2 O7 P
Class
ligand
Structures
4
PDB entries
4

Binding sites

PDA in 4 structures; the first of them:

  • 5XT6 · A sulfur-transferring catalytic intermediate of SufS-SufU complex from Bacillus subtilis · PDA A501 · binds ALA28, ALA29, GLY91, THR92, THR93, HIS121, ALA123, VAL171 and 14 more
  • 5ZSK · SufS from Bacillus subtilis soaked with L-cysteine for 63 sec · PDA A501 · binds ALA28, ALA29, GLY91, THR92, THR93, HIS121, ALA123, SER169 and 11 more
  • 6KG1 · NifS from Helicobacter pylori, soaked with L-cysteine for 180 sec · PDA A503 · binds ASN10, ALA11, CYS72, ALA73, THR74, ASN77, HIS104, MET151 and 8 more
  • 8H21 · Serine Palmitoyltransferase from Sphingobacterium multivorum complexed with L-alanine · PDA A407 · binds THR112, GLY113, PHE114, ASN117, HIS138, SER140, ASP181, SER185 and 8 more

Residues it binds most

ALA 5, HIS 5, THR 5, ARG 4, SER 5, ASN 5, GLY 4, ASP 5, LYS 5, GLN 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • IPA · Isopropyl alcohol

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