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Ligand · B78

B78 · 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine

B78, 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine (C14 H15 N O2, 229.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
B78
Formula
C14 H15 N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

B78 in 2 structures; the first of them:

  • 3IC2 · Crystal Structure of liganded hemoglobin in complex with a potent antisickling agent… · B78 A144 · binds VAL1, LEU2, MET76, PRO77, LYS127, ALA130, SER131, THR134 and 4 more
  • 3IC2 · Crystal structure of liganded hemoglobin in complex with a potent antisickling agent… · B78 A144 · binds VAL1, LEU2, MET76, PRO77, LYS127, ALA130, SER131, THR134 and 4 more

Residues it binds most

VAL 4, SER 4, THR 4, ALA 4, LEU 4, PRO 4, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • OXY · Oxygen molecule
  • SO4 · Sulfate ion

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