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Ligand · OEH

OEH · [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy) ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino) xanthen-3-ylidene]-dimethyl-azanium

OEH, [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy) ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino) xanthen-3-ylidene]-dimethyl-azanium (C35 H43 Cl N3 O6 +1, 637.2 g/mol), in the MolNFT structures on GenesisL1: bound in 21 records (12 PDB…

Component
OEH
Formula
C35 H43 Cl N3 O6 +1
Class
ligand
Structures
21
PDB entries
12

Binding sites

OEH in 21 structures; the first of them:

  • 6Y7A · X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with a… · OEH A301 · binds ASN41, ASP106, TRP107, PHE144, ALA145, THR148, PHE149, PHE152 and 13 more
  • 6ZCC · X-ray structure of the Haloalkane dehalogenase HOB (HaloTag7-based Oligonucleotide… · OEH A301 · binds ASN41, ASP106, TRP107, ILE132, PHE144, ALA145, THR148, PHE149 and 12 more
  • 6ZVU · X-ray structure of the haloalkane dehalogenase HALOTAG7-P174L labeled with a… · OEH A301 · binds ASN41, ASP106, TRP107, ILE132, PHE144, ALA145, THR148, PHE149 and 13 more
  • 6ZVV · X-ray structure of the haloalkane dehalogenase HALOTAG7-P174W labeled with a… · OEH A301 · binds ASN41, ASP106, TRP107, ILE132, PHE144, ALA145, THR148, PHE149 and 13 more
  • 6ZVW · X-ray structure of the haloalkane dehalogenase HALOTAG7-Q165H labeled with a… · OEH A301 · binds ASN41, ASP106, TRP107, ILE132, PHE144, ALA145, THR148, PHE149 and 20 more
  • 6ZVX · X-ray structure of the haloalkane dehalogenase HALOTAG7-Q165H-P174L labeled with a… · OEH A301 · binds ASN41, ASP106, TRP107, ILE132, PHE144, ALA145, THR148, PHE149 and 15 more
  • 6ZVY · X-ray structure of the haloalkane dehalogenase HALOTAG7-Q165H-P174R labeled with a… · OEH A301 · binds ASN41, ASP106, TRP107, ILE132, PHE144, ALA145, THR148, PHE149 and 21 more
  • 7PCW · X-ray structure of the haloalkane dehalogenase HALOTAG7-M175W labeled with a… · OEH A301 · binds ASN41, ASP106, TRP107, ILE132, PHE144, ALA145, GLU147, THR148 and 15 more
  • 7PCX · X-ray structure of the haloalkane dehalogenase HALOTAG7-Q165W labeled with a… · OEH A301 · binds ASN41, ASP106, TRP107, ILE132, PHE144, ALA145, THR148, PHE149 and 15 more
  • 7ZIV · X-ray structure of the haloalkane dehalogenase dead variant HaloTag7-D106A bound to a… · OEH A301 · binds ASN41, ALA106, TRP107, TRP141, PHE144, ALA145, THR148, PHE149 and 14 more
  • 8B6S · X-ray structure of the haloalkane dehalogenase HaloTag7 fusion to the green fluorescent… · OEH A601 · binds TYR38, LYS40, ARG72, GLN203, PHE222, THR224, ASN275, ASP340 and 18 more
  • 8B6T · X-ray structure of the interface optimized haloalkane dehalogenase HaloTag7 fusion to the… · OEH A601 · binds TYR38, LYS40, GLN203, PHE222, ARG224, ASN275, ASP340, TRP341 and 16 more
  • 6Y7A · X-ray structure of the haloalkane dehalogenase HALOTAG7 labeled with a… · OEH A301 · binds ASP106, TRP107, PHE144, ALA145, THR148, PHE149, GLN165, VAL167 and 9 more
  • 6ZCC · X-ray structure of the haloalkane dehalogenase hob (HALOTAG7-based oligonucleotide… · OEH A301 · binds ASN41, ASP106, PHE144, ALA145, THR148, PHE149, GLN165, VAL167 and 8 more
  • 6ZVU · X-ray structure of the haloalkane dehalogenase HALOTAG7-P174L labeled with a… · OEH A301 · binds ASN41, ASP106, PHE144, ALA145, THR148, PHE149, GLN165, VAL167 and 9 more
  • 6ZVV · X-ray structure of the haloalkane dehalogenase HALOTAG7-P174W labeled with a… · OEH A301 · binds ASN41, ASP106, ALA145, THR148, PHE149, LEU161, GLN165, VAL167 and 8 more
  • 6ZVW · X-ray structure of the haloalkane dehalogenase HALOTAG7-Q165H labeled with a… · OEH A301 · binds ASN41, ASP106, PHE144, ALA145, THR148, PHE149, HIS165, VAL167 and 14 more
  • 6ZVX · X-ray structure of the haloalkane dehalogenase HALOTAG7-Q165H-P174L labeled with a… · OEH A301 · binds ASP106, PHE144, ALA145, THR148, PHE149, HIS165, VAL167, GLU170 and 7 more
  • 6ZVY · X-ray structure of the haloalkane dehalogenase HALOTAG7-Q165H-P174R labeled with a… · OEH A301 · binds ASP106, PHE144, ALA145, THR148, PHE149, HIS165, VAL167, GLU170 and 13 more
  • 7PCW · X-ray structure of the haloalkane dehalogenase HALOTAG7-M175W labeled with a… · OEH A301 · binds ASN41, ASP106, TRP107, ALA145, GLU147, THR148, PHE149, ALA151 and 9 more

Residues it binds most

PHE 49, THR 49, GLY 49, VAL 49, ASN 49, LEU 46, TRP 44, ASP 48, ALA 49, GLU 47 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • GOL · Glycerol
  • CA · Calcium ion
  • ACT · Acetate ion
  • PEG · Di(hydroxyethyl)ether

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