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Ligand · CQH

CQH · 5-[[4-[[(2~{S})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate

CQH, 5-[[4-[[(2~{S})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate (C26 H29 N3 O4 S, 479.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
CQH
Formula
C26 H29 N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

CQH in 2 structures; the first of them:

  • 6F5M · Crystal structure of highly glycosylated human leukocyte elastase in complex with a… · CQH A414 · binds LEU35, VAL59, ALA60, ASN61, VAL62, ASN62A, VAL62B, LEU35 and 8 more
  • 6F5M · Crystal structure of highly glycosylated human leukocyte elastase in complex with a… · CQH A414 · binds LEU35, VAL59, ALA60, ASN61, VAL62, ASN62A, VAL62B, LEU35 and 8 more

Residues it binds most

ASN 4, LEU 4, VAL 4, GLY 4, ALA 4, HIS 4, ILE 4, PHE 4 (residue and the binding sites it lines).

Found with

  • BMA · beta-D-mannopyranose
  • FUC · alpha-L-fucopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • ACT · Acetate ion

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