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Ligand · 47A

47A · 2-amino-1-(4-bromophenyl)ethanone

47A, 2-amino-1-(4-bromophenyl)ethanone (C8 H8 Br N O, 214.1 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
47A
Formula
C8 H8 Br N O
Class
ligand
Structures
2
PDB entries
2

Binding sites

47A in 2 structures; the first of them:

  • 4Y51 · Endothiapepsin in complex with fragment 52 · 47A A403 · binds ASP33, ASP35, TYR79, ASP81, SER83, SER115, PHE116, ASP119 and 3 more
  • 6YSJ · Thrombin in complex with 2-amino-1-(4-BROMOPHENYL)ETHAN-1-one (J10) · 47A H305 · binds ASP189, ALA190, CYS191, GLU192, SER195, VAL213, SER214, TRP215 and 6 more

Residues it binds most

ASP 2, GLY 2, SER 2, TRP 2, TYR 3, CYS 1, GLU 2, ILE 2, LEU 2, PHE 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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