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Ligand · B57

B57 · 2,6-diamino-5-nitropyrimidin-4(3H)-one

B57, 2,6-diamino-5-nitropyrimidin-4(3H)-one (C4 H5 N5 O3, 171.1 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 residues it binds most and the…

Component
B57
Formula
C4 H5 N5 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

B57 in 4 structures; the first of them:

  • 3H2A · Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase · B57 A901 · binds ASP101, ASN120, ILE122, ILE143, MET145, ASP184, ILE187, PHE189 and 4 more
  • 3MCN · Crystal Structure of the 6-hyroxymethyl-7,8-dihydropterin pyrophosphokinase… · B57 B423 · binds ASP255, ASN277, VAL279, VAL299, ILE301, ASP346, PHE349, PHE351 and 4 more
  • 3H2A · Structural studies of pterin-based inhibitors of dihydropteroate synthase · B57 A901 · binds ASP101, ASN120, ILE122, ILE143, MET145, ASP184, ILE187, PHE189 and 4 more
  • 3MCN · Crystal structure of the 6-hyroxymethyl-7,8-dihydropterin pyrophosphokinase… · B57 B423 · binds ASP255, ASN277, VAL279, VAL299, ILE301, ASP346, PHE349, PHE351 and 4 more

Residues it binds most

ASP 8, ILE 8, PHE 8, ARG 8, ASN 8, GLY 8, LEU 6, LYS 6, MET 4, VAL 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • SO4 · Sulfate ion

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