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Ligand · 9BF

9BF · 4-(1~{H}-indol-3-yl)butan-2-one

9BF, 4-(1~{H}-indol-3-yl)butan-2-one (C12 H13 N O, 187.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
9BF
Formula
C12 H13 N O
Class
ligand
Structures
2
PDB entries
2

Binding sites

9BF in 2 structures; the first of them:

  • 5ZFJ · Crystal structure of a cyclase filc from fischerella sp. in complex with… · 9BF A304 · binds ASP47, ASP48, TYR49, GLY80, TYR81, VAL82, PHE88, ILE99 and 4 more
  • 6A9F · Crystal structure of a cyclase from fischerella sp. tau in complex with… · 9BF B301 · binds TYR49, GLY81, TYR82, THR83, TYR89, TYR102, PHE143, PHE211 and 1 more

Residues it binds most

TYR 5, ASP 5, PHE 5, GLY 4, ILE 4, LEU 4, VAL 4, THR 1, TRP 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • GOL · Glycerol
  • MG · Magnesium ion
  • PEG · Di(hydroxyethyl)ether
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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