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Ligand · 4OG

4OG · 3-(1-benzothiophen-3-yl)-L-alanine

4OG, 3-(1-benzothiophen-3-yl)-L-alanine (C11 H11 N O2 S, 221.3 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…

Component
4OG
Formula
C11 H11 N O2 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

4OG in 2 structures; the first of them:

  • 4ZIB · Crystal Structure of the C-terminal domain of PylRS mutant bound with… · 4OG A512 · binds MET300, LEU301, ALA302, LEU305, ARG330, MET344, GLY346, PHE347 and 7 more
  • 6LY3 · PylRS C-terminus domain mutant bound with 3-Benzothienyl-L-alanine and AMPNP · 4OG A504 · binds MET300, LEU301, ALA302, LEU305, MET344, GLY346, PHE347, SER399 and 6 more

Residues it binds most

GLY 2, ALA 2, LEU 2, MET 2, PHE 2, SER 2, TRP 2, ARG 1, GLN 1, VAL 1 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ANP · Phosphoaminophosphonic acid-adenylate ester
  • ATP · Adenosine-5'-triphosphate
  • EDO · 1,2-ethanediol

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