› 4y64

X-ray diffraction
1.6Å resolution

AAGlyB in complex with amino-acid analogues

Released:
DOI: 10.2210/pdb4y64/pdb
PDB entry 4y64 coloured by chain, front view.
PDB entry 4y64 coloured by chain, side view.
PDB entry 4y64 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Wang S, Cuesta-Seijo JA, Striebeck A, Lafont D, Palcic MM, Vidal S
Chempluschem 80 1525-1532 (2015)

Function and Biology Details

Reactions catalysed: 
UDP-alpha-D-galactose + alpha-L-fucosyl-(1->2)-D-galactosyl-R = UDP + alpha-D-galactosyl-(1->3)-(alpha-L-fucosyl-(1->2))-D-galactosyl-R
UDP-N-acetyl-alpha-beta-D-galactosamine + glycoprotein-alpha-L-fucosyl-(1->2)-D-galactose = UDP + glycoprotein-N-acetyl-alpha-D-galactosaminyl-(1->3)-(alpha-L-fucosyl-(1->2))-beta-D-galactose
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147725 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Histo-blood group ABO system transferase Chain: A
Molecule details ›
Chain: A
Length: 354 amino acids
Theoretical weight: 40.95 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P16442 (Residues: 1-354; Coverage: 100%)
Gene name: ABO
Sequence domains: Glycosyltransferase family 6
Structure domains: Spore Coat Polysaccharide Biosynthesis Protein SpsA; Chain A

Ligands and Environments

2 bound ligands:
Ligand BHE 1 x BHE
Ligand 48C 1 x 48C
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: C2221
Unit cell:
a: 52.94Å b: 150.02Å c: 80.15Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.188 0.258
Expression system: Escherichia coli

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