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Ligand · B77

B77 · 2-[(2-methoxy-5-methylphenoxy)methyl]pyridine

B77, 2-[(2-methoxy-5-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
B77
Formula
C14 H15 N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

B77 in 2 structures; the first of them:

  • 3IC0 · Crystal Structure of liganded hemoglobin in complex with a potent antisickling agent… · B77 A144 · binds VAL1, LEU2, ASP126, LYS127, ALA130, SER131, THR134, VAL34 and 6 more
  • 3IC0 · Crystal structure of liganded hemoglobin in complex with a potent antisickling agent… · B77 A144 · binds VAL1, LEU2, ASP126, LYS127, ALA130, SER131, THR134, VAL34 and 6 more

Residues it binds most

SER 8, LEU 8, THR 4, ALA 8, ASP 8, LYS 8, PRO 8, TRP 8, TYR 8, VAL 4 (residue and the binding sites it lines).

Found with

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

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