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Ligand · DH1

DH1 · 2,4-diamino-5-[2-methoxy-5-(4-carboxybutyloxy)benzyl]pyrimidine

DH1, 2,4-diamino-5-[2-methoxy-5-(4-carboxybutyloxy)benzyl]pyrimidine (C17 H22 N4 O4, 346.4 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
DH1
Formula
C17 H22 N4 O4
Class
ligand
Structures
10
PDB entries
5

Binding sites

DH1 in 10 structures; the first of them:

  • 2FZH · New Insights into Dihydrofolate Reductase Interactions: Analysis of Pneumocystis carinii… · DH1 A208 · binds ILE10, VAL11, ALA12, LEU25, GLU32, ILE33, PHE36, LYS37 and 7 more
  • 3F8Y · Correlations of Human Dihydrofolate Reductase with Structural Data for Human Active Site… · DH1 A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, LYS35 and 7 more
  • 3F8Z · Human Dihydrofolate Reductase Structural Data with Active Site Mutant Enzyme Complexes · DH1 A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, SER35 and 9 more
  • 3F91 · Structural Data for Human Active Site Mutant Enzyme Complexes · DH1 A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, SER35 and 8 more
  • 3FS6 · Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate… · DH1 A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, TYR33, PHE34 and 9 more
  • 2FZH · New insights into dihydrofolate reductase interactions: analysis of pneumocystis carinii… · DH1 A208 · binds ILE10, VAL11, ALA12, LEU25, GLU32, ILE33, PHE36, LYS37 and 7 more
  • 3F8Y · Correlations of human dihydrofolate reductase with structural data for human active site… · DH1 A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, LYS35 and 7 more
  • 3F8Z · Human dihydrofolate reductase structural data with active site mutant enzyme complexes · DH1 A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, SER35 and 9 more
  • 3F91 · Structural data for human active site mutant enzyme complexes · DH1 A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, SER35 and 8 more
  • 3FS6 · Correlations of inhibitor kinetics for pneumocystis jirovecii and human dihydrofolate… · DH1 A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, TYR33, PHE34 and 9 more

Residues it binds most

ILE 10, PHE 10, LEU 10, THR 10, VAL 10, TYR 10, ALA 10, GLU 10, ARG 8, LYS 8 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • SO4 · Sulfate ion

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