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Ligand · QUB

QUB · (E)-N-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine

QUB, (E)-N-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine (C13 H12 N2 O, 212.2 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
QUB
Formula
C13 H12 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

QUB in 2 structures; the first of them:

  • 3WD4 · Serratia marcescens Chitinase B complexed with azide inhibitor and quinoline compound · QUB A512 · binds TRP97, PHE191, ASP215, PRO219, TRP220, GLY314, ASP316, ARG338
  • 3WD4 · Serratia marcescens chitinase B complexed with azide inhibitor and quinoline compound · QUB A512 · binds TRP97, PHE191, ASP215, PRO219, TRP220, GLY314, ASP316, ARG338

Residues it binds most

ASP 2, TRP 2, ARG 2, GLY 2, PHE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • A1L · [2-[[(2S)-1-[bis(phenylmethyl)amino]-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-diazonio-azanide
  • SO4 · Sulfate ion
  • GOL · Glycerol

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