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Ligand · PT1

PT1 · Pteroic acid

PT1, Pteroic acid (C14 H12 N6 O3, 312.3 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
PT1
Formula
C14 H12 N6 O3
Class
ligand
Structures
9
PDB entries
6

Binding sites

PT1 in 9 structures; the first of them:

  • 5U10 · E. coli dihydropteroate synthase complexed with pteroic acid · PT1 A302 · binds THR62, ARG63, ASP96, ASN115, ILE117, MET139, ASP185, GLY189 and 6 more
  • 6JWT · Crystal structure of Plasmodium falciparum HPPK-DHPS S436F/A437G/A613T triple mutant with… · PT1 A804 · binds PHE436, GLY437, PRO438, ASP482, ASN502, ILE504, VAL527, MET529 and 8 more
  • 6PZ2 · Crystal Structure of FolP (dihydropteroate synthase) from Colstridium difficile in the… · PT1 A310 · binds THR55, ARG56, PRO57, ASP89, ASN108, VAL110, CYS131, MET133 and 8 more
  • 5U10 · E. COLI dihydropteroate synthase complexed with pteroic acid · PT1 A302 · binds THR62, ARG63, ASP96, ASN115, ILE117, MET139, ASP185, GLY189 and 6 more
  • 6JWR · Crystal structure of plasmodium falciparum hppk-dhps wild type with pteroate · PT1 A801 · binds SER436, ALA437, PRO438, ASP482, ASN502, ILE504, VAL527, MET529 and 8 more
  • 6JWS · Crystal structure of plasmodium falciparum hppk-dhps A437G with pteroate · PT1 A801 · binds SER436, GLY437, PRO438, ASP482, ASN502, ILE504, VAL527, MET529 and 8 more
  • 6JWT · Crystal structure of plasmodium falciparum hppk-dhps S436F/A437G/A613T triple mutant with… · PT1 A804 · binds PHE436, GLY437, PRO438, ASP482, ASN502, ILE504, VAL527, MET529 and 8 more
  • 6PZ2 · Crystal structure of folp (dihydropteroate synthase) from colstridium difficile in the… · PT1 A310 · binds THR55, ARG56, PRO57, ASP89, ASN108, VAL110, CYS131, MET133 and 8 more
  • 8D5I · Crystal structure of dihydropteroate synthase H182G mutant (folp- SMZ_B27) from soil… · PT1 A301 · binds THR51, GLY52, PRO53, ASP86, ASN105, VAL107, VAL128, MET130 and 10 more

Residues it binds most

GLY 16, PHE 16, ASP 16, ARG 16, ASN 16, LYS 16, MET 16, PRO 14, SER 12, ILE 12 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • MG · Magnesium ion
  • ACT · Acetate ion
  • AMP · Adenosine monophosphate
  • ATP · Adenosine-5'-triphosphate
  • PO4 · Phosphate ion
  • SO4 · Sulfate ion
  • NHE · 2-[N-cyclohexylamino]ethane sulfonic acid
  • PH2 · 2-amino-6-hydroxymethyl-7,8-dihydro-3H-pteridin-4-one
  • POP · Pyrophosphate 2-

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