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Ligand · IBR

IBR · (2-bromoethyl)(2-'formyl-4'-aminophenyl) acetate

IBR, (2-bromoethyl)(2-'formyl-4'-aminophenyl) acetate (C11 H12 Br N O3, 286.1 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 binds most…

Component
IBR
Formula
C11 H12 Br N O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

IBR in 2 structures; the first of them:

  • 9EST · Structural study of porcine pancreatic elastase complexed with… · IBR A600 · binds THR41, CYS42, ALA55, HIS57, CYS58, GLN192, GLY193, SER195 and 2 more
  • 9EST · Structural study of porcine pancreatic elastase complexed with 7… · IBR A600 · binds THR41, CYS42, HIS57, CYS58, GLN192, GLY193, SER195, GLY196 and 1 more

Residues it binds most

CYS 2, GLY 2, SER 2, GLN 2, HIS 2, THR 2, ALA 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion

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