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Ligand · 78B

78B · ethyl 4-(aminomethyl)benzoate

78B, ethyl 4-(aminomethyl)benzoate (C10 H13 N O2, 179.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
78B
Formula
C10 H13 N O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

78B in 4 structures; the first of them:

  • 4Y3F · Endothiapepsin in complex with fragment 78 · 78B A407 · binds ASP33, ASP35, TYR79, ASP81, SER83, SER115, PHE116, ASP119 and 4 more
  • 4YCK · Endothiapepsin in complex with fragment 211 · 78B A401 · binds ASP33, ASP35, TYR79, ASP81, SER83, SER115, PHE116, ASP119 and 4 more
  • 4Y3F · Endothiapepsin in complex with fragment 78 · 78B A407 · binds ASP33, ASP35, TYR79, ASP81, SER83, SER115, PHE116, ASP119 and 4 more
  • 4YCK · Endothiapepsin in complex with fragment 211 · 78B A401 · binds ASP33, ASP35, TYR79, ASP81, SER83, SER115, PHE116, ASP119 and 4 more

Residues it binds most

ASP 4, SER 4, GLY 4, ILE 4, LEU 4, PHE 4, THR 4, TYR 4 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • EDO · 1,2-ethanediol

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