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Ligand · 3B8

3B8 · 2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide

3B8, 2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide (C13 H8 F N3 O3, 273.2 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…

Component
3B8
Formula
C13 H8 F N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

3B8 in 2 structures; the first of them:

  • 3BA8 · Structural Basis for the Inhibition of Bacterial NAD+ Dependent DNA Ligase · 3B8 A501 · binds TYR87, SER88, LEU89, GLU118, LEU119, LYS120, ILE121, ARG141 and 7 more
  • 3BA8 · Structural basis for the inhibition of bacterial NAD+ dependent DNA ligase · 3B8 A501 · binds TYR87, SER88, LEU89, GLU118, LEU119, LYS120, ILE121, ARG141 and 7 more

Residues it binds most

GLU 2, LEU 2, LYS 2, TYR 2, ARG 2, ILE 2, PRO 2, SER 2, THR 2, TRP 2 (residue and the binding sites it lines).

Found with

  • NMN · Beta-nicotinamide ribose monophosphate
  • SO4 · Sulfate ion

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