Ligand · DEQ
DEQ · Dequalinium
DEQ, Dequalinium (C30 H40 N4 +2, 456.7 g/mol), in the MolNFT structures on GenesisL1: bound in 18 records (9 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.
- Component
- DEQ
- Formula
- C30 H40 N4 +2
- Class
- ligand
- Structures
- 18
- PDB entries
- 9
Binding sites
DEQ in 18 structures; the first of them:
- 1JT6 · Crystal structure of the multidrug binding protein QacR bound to dequalinium · DEQ A201 · binds ASN97, ILE100, THR161, PHE162, LEU54, GLU57, GLU58, LYS60 and 11 more
- 1OYD · Structural Basis of Multiple Binding Capacity of the AcrB multidrug Efflux Pump · DEQ A4001 · binds ASP99
- 3ARP · Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors… · DEQ A606 · binds TRP168, ARG173, VAL205, SER209, HIS228, TRP275, THR276, LEU277 and 4 more
- 3ART · Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors… · DEQ A606 · binds GLY320, GLY321, ALA322, TRP397
- 3BR1 · Crystal Structure of the Complex of Dequalinium Bound to QacR(E90Q), a Mutant of a… · DEQ A201 · binds ASN97, ILE100, THR161, PHE162, LEU54, GLU57, GLU58, TRP61 and 12 more
- 3BR2 · Crystal Structure of the Complex of Dequalinium Bound to QacR(E120Q), a Mutant of a… · DEQ A201 · binds ASN97, ILE100, THR161, PHE162, LEU54, GLU57, GLU58, TRP61 and 11 more
- 3BT9 · crystal structure of QacR(E57Q) bound to Dequalinium · DEQ A201 · binds ASN97, ILE100, THR161, PHE162, GLU165, LEU54, GLN57, GLU58 and 14 more
- 3BTJ · crystal structure of QacR(E58Q) bound to dequalinium · DEQ A201 · binds ASN97, ILE100, THR161, PHE162, LEU54, GLU57, GLN58, LYS60 and 13 more
- 3VW0 · Crystal Structure of The Dequalinum-bound Form of RamR (Transcriptional Regulator of TetR… · DEQ B301 · binds TYR59, LYS63, LEU66, MET70, THR85, ILE88, TYR92, HIS103 and 11 more
- 1JT6 · Crystal structure of the multidrug binding protein qacr bound to dequalinium · DEQ A201 · binds ASN97, ILE100, THR161, PHE162, LEU54, GLU57, GLU58, LYS60 and 11 more
- 1OYD · Structural basis of multiple binding capacity of the acrb multidrug efflux pump · DEQ A4001 · binds ASP99
- 3ARP · Crystal structure analysis of chitinase a from vibrio harveyi with novel inhibitors… · DEQ A606 · binds TRP168, ARG173, VAL205, SER209, HIS228, TRP275, THR276, LEU277 and 4 more
- 3ART · Crystal structure analysis of chitinase a from vibrio harveyi with novel inhibitors… · DEQ A606 · binds GLY320, GLY321, ALA322, TRP397
- 3BR1 · Crystal structure of the complex of dequalinium bound to QACR(E90Q), a mutant of a… · DEQ A201 · binds ASN97, ILE100, THR161, PHE162, LEU54, GLU57, GLU58, TRP61 and 12 more
- 3BR2 · Crystal structure of the complex of dequalinium bound to QACR(E120Q), a mutant of a… · DEQ A201 · binds ASN97, ILE100, THR161, PHE162, LEU54, GLU57, GLU58, TRP61 and 11 more
- 3BT9 · Crystal structure of QACR(E57Q) bound to dequalinium · DEQ A201 · binds ASN97, ILE100, THR161, PHE162, GLU165, LEU54, GLN57, GLU58 and 14 more
- 3BTJ · Crystal structure of QACR(E58Q) bound to dequalinium · DEQ A201 · binds ASN97, ILE100, THR161, PHE162, LEU54, GLU57, GLN58, LYS60 and 13 more
- 3VW0 · Crystal structure of the dequalinum-bound form of ramr (transcriptional regulator of tetr… · DEQ B301 · binds TYR59, LYS63, LEU66, MET70, THR85, ILE88, TYR92, HIS103 and 11 more
Residues it binds most
LEU 16, GLU 14, ILE 14, THR 18, TYR 16, TRP 16, ASN 14, GLN 8, MET 14, PHE 14 (residue and the binding sites it lines).
Found with
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