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Ligand · BHE

BHE · octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside

BHE, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside (C20 H38 O10, 438.5 g/mol), in the MolNFT structures on GenesisL1: bound in 28 records (14 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
BHE
Formula
C20 H38 O10
Class
ligand
Structures
28
PDB entries
14

Binding sites

BHE in 28 structures; the first of them:

  • 2RIY · B-specific-1,3-galactosyltransferase (GTB)+H-antigen acceptor · BHE A452 · binds HIS233, PRO234, SER235, PHE236, THR245, TYR264, MET266, TRP300 and 4 more
  • 2RJ1 · B-specific alpha-1,3-galactosyltransferase (GTB) G176R mutant + UDP + H-antigen… · BHE A452 · binds HIS233, PRO234, SER235, PHE236, THR245, TYR264, MET266, TRP300 and 6 more
  • 2RJ6 · B-specific alpha-1,3-galactosyltransferase G176R S235G mutant (AABB) + H-antigen… · BHE A452 · binds HIS233, PRO234, GLY235, PHE236, THR245, TYR264, MET266, TRP300 and 4 more
  • 2RJ8 · B-specific alpha-1,3-galactosyltransferase (GTB) +UDP+ H-antigen disaccharide · BHE A452 · binds HIS233, PRO234, SER235, PHE236, THR245, TYR264, MET266, TRP300 and 6 more
  • 3V0M · Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA… · BHE A475 · binds HIS233, PRO234, GLY235, PHE236, SER239, THR245, TYR264, TRP300 and 5 more
  • 3V0O · Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA… · BHE A403 · binds HIS233, PRO234, GLY235, PHE236, THR245, TYR264, TRP300, GLU303 and 5 more
  • 3V0P · Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA… · BHE A403 · binds HIS233, PRO234, GLY235, PHE236, SER239, THR245, TYR264, TRP300 and 5 more
  • 3V0Q · Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA… · BHE A403 · binds HIS233, PRO234, GLY235, PHE236, SER239, THR245, TYR264, TRP300 and 6 more
  • 4KC1 · Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine… · BHE A402 · binds HIS233, PRO234, GLY235, PHE236, SER239, THR245, TYR264, TRP300 and 4 more
  • 4KC2 · Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine… · BHE A402 · binds HIS233, PRO234, GLY235, PHE236, THR245, TYR264, TRP300, GLU303 and 3 more
  • 4KC4 · Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine… · BHE A402 · binds HIS233, PRO234, GLY235, PHE236, THR245, TYR264, TRP300, GLU303 and 3 more
  • 4Y62 · AAGlyB in complex with amino-acid analogues · BHE A401 · binds HIS233, PRO234, GLY235, PHE236, THR245, TYR264, TRP300, GLU303 and 3 more
  • 4Y63 · AAGlyB in complex with amino-acid analogues · BHE A401 · binds HIS233, PRO234, GLY235, PHE236, THR245, TYR264, TRP300, GLU303 and 3 more
  • 4Y64 · AAGlyB in complex with amino-acid analogues · BHE A401 · binds HIS233, PRO234, GLY235, PHE236, THR245, TYR264, TRP300, GLU303 and 3 more
  • 2RIY · B-specific-1,3-galactosyltransferase (GTB)+H-antigen acceptor · BHE A452 · binds HIS233, PRO234, SER235, PHE236, THR245, TYR264, MET266, TRP300 and 4 more
  • 2RJ1 · B-specific alpha-1,3-galactosyltransferase (gtb) G176R mutant + udp + H-antigen… · BHE A452 · binds HIS233, PRO234, SER235, PHE236, THR245, TYR264, MET266, TRP300 and 6 more
  • 2RJ6 · B-specific alpha-1,3-galactosyltransferase G176R S235G mutant (aabb) + H-antigen… · BHE A452 · binds HIS233, PRO234, GLY235, PHE236, THR245, TYR264, MET266, TRP300 and 4 more
  • 2RJ8 · B-specific alpha-1,3-galactosyltransferase (gtb) +udp+ H-antigen disaccharide · BHE A452 · binds HIS233, PRO234, SER235, PHE236, THR245, TYR264, MET266, TRP300 and 6 more
  • 3V0M · Crystal structure of the fucosylgalactoside alpha N- acetylgalactosaminyltransferase… · BHE A475 · binds HIS233, PRO234, GLY235, PHE236, SER239, THR245, TYR264, TRP300 and 5 more
  • 3V0O · Crystal structure of the fucosylgalactoside alpha N- acetylgalactosaminyltransferase… · BHE A403 · binds HIS233, PRO234, GLY235, PHE236, THR245, TYR264, TRP300, GLU303 and 5 more
  • 3V0P · Crystal structure of the fucosylgalactoside alpha N- acetylgalactosaminyltransferase… · BHE A403 · binds HIS233, PRO234, GLY235, PHE236, SER239, THR245, TYR264, TRP300 and 5 more
  • 3V0Q · Crystal structure of the fucosylgalactoside alpha N- acetylgalactosaminyltransferase… · BHE A403 · binds HIS233, PRO234, GLY235, PHE236, SER239, THR245, TYR264, TRP300 and 6 more
  • 4KC1 · Structure of the blood group glycosyltransferase aaglyb in complex with a pyridine… · BHE A402 · binds HIS233, PRO234, GLY235, PHE236, SER239, THR245, TYR264, TRP300 and 4 more
  • 4KC2 · Structure of the blood group glycosyltransferase aaglyb in complex with a pyridine… · BHE A402 · binds HIS233, PRO234, GLY235, PHE236, THR245, TYR264, TRP300, GLU303 and 3 more
  • 4KC4 · Structure of the blood group glycosyltransferase aaglyb in complex with a pyridine… · BHE A402 · binds HIS233, PRO234, GLY235, PHE236, THR245, TYR264, TRP300, GLU303 and 3 more
  • 4Y62 · Aaglyb in complex with amino-acid analogues · BHE A401 · binds HIS233, PRO234, GLY235, PHE236, THR245, TYR264, TRP300, GLU303 and 3 more
  • 4Y63 · Aaglyb in complex with amino-acid analogues · BHE A401 · binds HIS233, PRO234, GLY235, PHE236, THR245, TYR264, TRP300, GLU303 and 3 more
  • 4Y64 · Aaglyb in complex with amino-acid analogues · BHE A401 · binds HIS233, PRO234, GLY235, PHE236, THR245, TYR264, TRP300, GLU303 and 3 more

Residues it binds most

HIS 36, LEU 36, ALA 36, ASP 36, GLU 36, PHE 36, PRO 36, THR 36, TRP 36, TYR 36 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • SO4 · Sulfate ion
  • UDP · Uridine-5'-diphosphate
  • 4GW · 5-(5-formylthiophen-2-yl)uridine 5'-(trihydrogen diphosphate)
  • GOL · Glycerol
  • 48C · 5'-(D-alanylamino)-5'-deoxyuridine
  • 48E · 5'-deoxy-5'-{[(2R)-3-hydroxy-2-(4-phenyl-1H-1,2,3-triazol-1-yl)propanoyl]amino}uridine
  • 48O · 5'-deoxy-5'-{[(2S)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine
  • 5GW · 5-phenyluridine 5'-(trihydrogen diphosphate)
  • WS1 · 6-(1-beta-D-Glucopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide
  • WS2 · 6-(1-beta-D-Galactopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide
  • WS3 · 5'-deoxy-5'-[({6-[(alpha-D-galactopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine

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