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Ligand · BET

BET · Trimethyl glycine

BET, Trimethyl glycine (C5 H12 N O2 +1, 118.2 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
BET
Formula
C5 H12 N O2 +1
Class
ligand
Structures
5
PDB entries
5

Binding sites

BET in 5 structures; the first of them:

  • 5C2V · Kuenenia stuttgartiensis Hydrazine Synthase · BET A907 · binds TYR537, TYR632, GLY634, VAL635
  • 6EYG · Structure of a OpuBC mutant with bound Glycine betaine · BET A301 · binds GLN19, MET21, TYR71, THR74, ASN115, THR116, TYR117, TYR197 and 1 more
  • 6RVE · Co-substituted beta-Keggin bound to Proteinase K solved by MR · BET A304 · binds HIS69, ASN161, ILE220, SER221, GLY222, THR223, SER224, MET225
  • 7AHD · OpuA (E190Q) occluded · BET B601 · binds PRO140, GLY141, PHE166, MET227, ILE230, PHE166, SER226, MET227 and 2 more
  • 8ZFK · Caenorhabditis elegans ACR-23 in betaine and monepantel bound state · BET D603 · binds TYR116, TRP178, TYR222, CYS224, TYR229, GLN59, TRP78, VAL80 and 1 more

Residues it binds most

TYR 7, TRP 7, VAL 8, ARG 5, GLU 4, GLN 6, CYS 5, GLY 5, LEU 5, PHE 4 (residue and the binding sites it lines).

Found with

  • A1D8E · ~{N}-[(2~{S})-2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzamide
  • ATP · Adenosine-5'-triphosphate
  • HEC · Heme C
  • KCO · Co-substituted beta-Keggin
  • XCO · Co-substituted beta-Keggin
  • CA · Calcium ion
  • MG · Magnesium ion
  • ZN · Zinc ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • SO4 · Sulfate ion

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