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Ligand · BTL

BTL · Betaine aldehyde

BTL, Betaine aldehyde (C5 H12 N O +1, 102.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
BTL
Formula
C5 H12 N O +1
Class
ligand
Structures
3
PDB entries
2

Binding sites

BTL in 3 structures; the first of them:

  • 1WNB · Escherichia coli YdcW gene product is a medium-chain aldehyde dehydrogenase (complexed… · BTL B5001 · binds TYR150, TYR274, ASP279, CYS280, THR281, PHE436, LEU438
  • 6ND3 · wild-type choline TMA lyase in complex with betaine aldehyde · BTL A901 · binds TYR208, ASP216, THR334, GLY335, PHE389, PHE395, MET487, GLY488 and 6 more
  • 1WNB · Escherichia COLI ydcw gene product is a medium-chain aldehyde dehydrogenase (complexed… · BTL B5001 · binds TYR150, TYR274, ASP279, CYS280, THR281, PHE436, LEU438

Residues it binds most

TYR 10, PHE 10, THR 10, GLY 8, ASP 10, CYS 10, LEU 10, GLU 8, ILE 8, MET 8 (residue and the binding sites it lines).

Found with

  • NAI · 1,4-dihydronicotinamide adenine dinucleotide

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