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Ligand · DH3

DH3 · 2,4-diamino-5-[3',4'-dimethoxy-5'-(5-carboxyl-1-pentynyl)]benzyl pyrimidine

DH3, 2,4-diamino-5-[3',4'-dimethoxy-5'-(5-carboxyl-1-pentynyl)]benzyl pyrimidine (C19 H22 N4 O4, 370.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component
DH3
Formula
C19 H22 N4 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

DH3 in 4 structures; the first of them:

  • 2FZI · New Insights into DHFR Interactions: Analysis of Pneumocystis carinii and Mouse DHFR… · DH3 A208 · binds ILE10, VAL11, ALA12, LEU25, GLU32, ILE33, PHE36, LYS37 and 11 more
  • 2FZJ · New Insights into DHFR Interactions: Analysis of Pneumocystis carinii and Mouse DHFR… · DH3 A188 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, GLN35 and 10 more
  • 2FZI · New insights into DHFR interactions: analysis of pneumocystis carinii and mouse DHFR… · DH3 A208 · binds ILE10, VAL11, ALA12, LEU25, GLU32, ILE33, PHE36, LYS37 and 11 more
  • 2FZJ · New insights into DHFR interactions: analysis of pneumocystis carinii and mouse DHFR… · DH3 A188 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, GLN35 and 10 more

Residues it binds most

ILE 4, LEU 4, PHE 4, THR 4, VAL 4, ALA 4, ARG 4, GLU 4, LYS 4, PRO 4 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate

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