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Ligand · DXR

DXR · 3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

DXR, 3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (C16 H18 Br N5, 360.2 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, the…

Component
DXR
Formula
C16 H18 Br N5
Class
ligand
Structures
4
PDB entries
2

Binding sites

DXR in 4 structures; the first of them:

  • 3MA6 · Crystal structure of kinase domain of TgCDPK1 in presence of 3BrB-PP1 · DXR A299 · binds LEU40, GLY41, LYS42, GLY43, VAL48, ALA61, MET95, GLU112 and 4 more
  • 4QOX · Crystal Structure of CDPK4 from Plasmodium Falciparum, PF3D7_0717500 · DXR A602 · binds LEU76, GLY77, LYS78, GLY79, VAL84, ALA97, ILE98, LYS99 and 10 more
  • 3MA6 · Crystal structure of kinase domain of TGCDPK1 in presence of 3BRB-PP1 · DXR A299 · binds LEU40, GLY41, LYS42, GLY43, VAL48, ALA61, MET95, GLU112 and 4 more
  • 4QOX · Crystal structure of CDPK4 from plasmodium falciparum, PF3D7_0717500 · DXR A602 · binds LEU76, GLY77, LYS78, GLY79, VAL84, ALA97, ILE98, LYS99 and 10 more

Residues it binds most

LEU 6, VAL 6, GLY 6, LYS 6, ILE 6, ALA 6, ASP 4, GLU 4, MET 6, TYR 6 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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