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Ligand · PJI

PJI · ~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-6-[3,3-dimethyl-2-[(~{E})-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]indol-1-ium-1-yl]hexanamide

PJI, ~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-6-[3,3-dimethyl-2-[(~{E})-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]indol-1-ium-1-yl]hexanamide (C40 H57 Cl N3 O3 +1, 663.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1…

Component
PJI
Formula
C40 H57 Cl N3 O3 +1
Class
ligand
Structures
1
PDB entries
1

Binding sites

PJI in 1 structure; the first of them:

  • 8B6R · X-ray structure of the haloalkane dehalogenase HaloTag7 labeled with a chloroalkane… · PJI A301 · binds ASN41, ASP106, TRP107, ILE132, PHE144, ALA145, GLU147, THR148 and 16 more

Residues it binds most

PHE 1, LEU 1, ALA 1, ASN 1, GLU 1, GLY 1, THR 1, VAL 1, ASP 1, GLN 1 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • CL · Chloride ion
  • GOL · Glycerol

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