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Ligand · A1L

A1L · [2-[[(2S)-1-[bis(phenylmethyl)amino]-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-diazonio-azanide

A1L, [2-[[(2S)-1-[bis(phenylmethyl)amino]-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-diazonio-azanide (C24 H31 N9 O3, 493.6 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
A1L
Formula
C24 H31 N9 O3
Class
ligand
Structures
6
PDB entries
3

Binding sites

A1L in 6 structures; the first of them:

  • 3WD2 · Serratia marcescens Chitinase B complexed with azide inhibitor · A1L A501 · binds TYR10, PHE51, TRP97, ASP142, GLU144, MET212, TYR214, ASP215 and 11 more
  • 3WD3 · Serratia marcescens Chitinase B complexed with azide inhibitor · A1L A501 · binds TYR10, PHE51, TRP97, ASP142, GLU144, MET212, TYR214, ASP215 and 10 more
  • 3WD4 · Serratia marcescens Chitinase B complexed with azide inhibitor and quinoline compound · A1L A511 · binds TYR10, PHE12, PHE51, TRP97, ASP142, GLU144, ALA184, MET212 and 8 more
  • 3WD2 · Serratia marcescens chitinase B complexed with azide inhibitor · A1L A501 · binds TYR10, PHE51, TRP97, ASP142, GLU144, MET212, TYR214, ASP215 and 11 more
  • 3WD3 · Serratia marcescens chitinase B complexed with azide inhibitor · A1L A501 · binds TYR10, PHE51, TRP97, ASP142, GLU144, MET212, TYR214, ASP215 and 10 more
  • 3WD4 · Serratia marcescens chitinase B complexed with azide inhibitor and quinoline compound · A1L A511 · binds TYR10, PHE12, PHE51, TRP97, ASP142, GLU144, ALA184, MET212 and 8 more

Residues it binds most

ASP 6, TYR 6, TRP 6, ARG 6, PHE 6, GLU 6, ILE 6, MET 6, PRO 6, GLN 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol
  • QUB · (E)-N-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine
  • DTD · Dithiane diol

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