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Ligand · DDF

DDF · 5,10-dideazatetrahydrofolic acid

DDF, 5,10-dideazatetrahydrofolic acid (C21 H25 N5 O6, 443.4 g/mol), in the MolNFT structures on GenesisL1: bound in 16 records (8 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
DDF
Formula
C21 H25 N5 O6
Class
ligand
Structures
16
PDB entries
8

Binding sites

DDF in 16 structures; the first of them:

  • 1DYJ · Isomorphous crystal structures of escherichia COLI dihydrofolate reductase complexed with… · DDF A161 · binds ILE5, ALA6, ALA7, ASP27, LEU28, ALA29, TRP30, PHE31 and 9 more
  • 1RC4 · Dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and nicotinamide… · DDF A161 · binds ILE5, ALA6, ALA7, GLU17, ASP27, LEU28, TRP30, PHE31 and 9 more
  • 1RX4 · Dihydrofolate reductase (E.C.1.5.1.3) complexed with 5,10-dideazatetrahydrofolate and… · DDF A161 · binds ILE5, ALA6, ALA7, MET16, GLU17, ASP27, LEU28, TRP30 and 10 more
  • 1RX5 · Dihydrofolate reductase (E.C.1.5.1.3) complexed with 5,10-dideazatetrahydrofolate · DDF A161 · binds ILE5, ALA6, ALA7, MET16, ASP27, LEU28, TRP30, PHE31 and 10 more
  • 1RX6 · Dihydrofolate reductase (E.C.1.5.1.3) complexed with 5,10-dideazatetrahydrofolate and… · DDF A161 · binds ILE5, ALA6, ALA7, GLU17, ASP27, LEU28, TRP30, PHE31 and 8 more
  • 5CC9 · L28F E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and… · DDF A202 · binds ILE5, ALA6, ALA7, TRP22, ASP27, PHE28, TRP30, PHE31 and 8 more
  • 5CCC · wild-type E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and… · DDF A201 · binds ILE5, ALA6, ALA7, MET20, TRP22, ASP27, LEU28, TRP30 and 9 more
  • 6QVG · Human SHMT2 in complex with lometrexol · DDF A607 · binds LEU166, GLY169, GLY170, HIS171, LEU172, TYR176, LYS181, ILE183 and 9 more
  • 1DYJ · Isomorphous crystal structures of escherichia COLI dihydrofolate reductase complexed with… · DDF A161 · binds ILE5, ALA6, ALA7, ASP27, LEU28, ALA29, TRP30, PHE31 and 9 more
  • 1RC4 · Dihydrofolate reductase complexed with 5,10- dideazatetrahydrofolate and nicotinamide… · DDF A161 · binds ILE5, ALA6, ALA7, GLU17, ASP27, LEU28, TRP30, PHE31 and 9 more
  • 1RX4 · Dihydrofolate reductase (E.C.1.5.1.3) complexed with 5,10- dideazatetrahydrofolate and… · DDF A161 · binds ILE5, ALA6, ALA7, MET16, GLU17, ASP27, LEU28, TRP30 and 10 more
  • 1RX5 · Dihydrofolate reductase (E.C.1.5.1.3) complexed with 5,10- dideazatetrahydrofolate · DDF A161 · binds ILE5, ALA6, ALA7, MET16, ASP27, LEU28, TRP30, PHE31 and 10 more
  • 1RX6 · Dihydrofolate reductase (E.C.1.5.1.3) complexed with 5,10- dideazatetrahydrofolate and… · DDF A161 · binds ILE5, ALA6, ALA7, GLU17, ASP27, LEU28, TRP30, PHE31 and 8 more
  • 5CC9 · L28F E.COLI dihydrofolate reductase complexed with 5,10- dideazatetrahydrofolate and… · DDF A202 · binds ILE5, ALA6, ALA7, TRP22, ASP27, PHE28, TRP30, PHE31 and 8 more
  • 5CCC · Wild-type E.COLI dihydrofolate reductase complexed with 5,10- dideazatetrahydrofolate and… · DDF A201 · binds ILE5, ALA6, ALA7, MET20, TRP22, ASP27, LEU28, TRP30 and 9 more
  • 6QVG · Human SHMT2 in complex with lometrexol · DDF A607 · binds LEU166, GLY169, GLY170, HIS171, LEU172, TYR176, LYS181, ILE183 and 9 more

Residues it binds most

ILE 20, ALA 20, LEU 20, ARG 20, TYR 20, PHE 20, LYS 20, PRO 20, TRP 16, THR 16 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • BME · Beta-mercaptoethanol
  • GLY · Glycine
  • PLP · Pyridoxal-5'-phosphate
  • CA · Calcium ion
  • NA · Sodium ion
  • CL · Chloride ion
  • ACT · Acetate ion
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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