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Ligand · B3H

B3H · (2S)-2-(butyryloxy)-3-hydroxypropyl nonanoate

B3H, (2S)-2-(butyryloxy)-3-hydroxypropyl nonanoate (C16 H30 O5, 302.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
B3H
Formula
C16 H30 O5
Class
ligand
Structures
6
PDB entries
3

Binding sites

B3H in 6 structures; the first of them:

  • 2H8P · Structure of a K channel with an amide to ester substitution in the selectivity filter · B3H C207 · binds THR85, LEU86, ARG89, LEU90, VAL93
  • 2HFE · Rb+ complex of a K channel with an amide to ester substitution in the selectivity filter · B3H C206 · binds VAL84, THR85, LEU86, ARG89, LEU90, VAL93
  • 2HG5 · Cs+ complex of a K channel with an amide to ester substitution in the selectivity filter · B3H C205 · binds VAL84, LEU86, ARG89, LEU90, VAL93
  • 2H8P · Structure of a K channel with an amide to ester substitution in the selectivity filter · B3H D201 · binds THR85, LEU86, ARG89, LEU90, VAL93
  • 2HFE · Rb+ complex of a K channel with an amide to ester substitution in the selectivity filter · B3H D301 · binds VAL84, THR85, LEU86, ARG89, LEU90, VAL93
  • 2HG5 · Cs+ complex of a K channel with an amide to ester substitution in the selectivity filter · B3H D124 · binds VAL84, LEU86, ARG89, LEU90, VAL93

Residues it binds most

LEU 6, VAL 6, ARG 6, THR 4 (residue and the binding sites it lines).

Found with

  • GOA · Glycolic acid
  • CS · Cesium ion
  • K · Potassium ion
  • RB · Rubidium ion

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