› 5a58

X-ray diffraction
1.8Å resolution

The structure of GH101 D764N mutant from Streptococcus pneumoniae TIGR4 in complex with serinyl T-antigen

Released:
DOI: 10.2210/pdb5a58/pdb
PDB entry 5a58 coloured by chain, front view.
PDB entry 5a58 coloured by chain, side view.
PDB entry 5a58 coloured by chain, top view.
Source organism: Streptococcus pneumoniae TIGR4
Primary publication:
Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights into Its Mechanism.
Gregg KJ, Suits MD, Deng L, Vocadlo DJ, Boraston AB
J Biol Chem 290 25657-69 (2015)
PMID: 26304114

Function and Biology Details

Reaction catalysed: 
Beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl-L-serine/L-threonine-[protein] + H(2)O = beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosamine + L-serine/L-threonine-[protein]
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-173727 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Endo-alpha-N-acetylgalactosaminidase Chain: A
Molecule details ›
Chain: A
Length: 1117 amino acids
Theoretical weight: 125.66 KDa
Source organism: Streptococcus pneumoniae TIGR4
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q2MGH6 (Residues: 317-1426; Coverage: 64%)
Gene name: SP_0368
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: A2G, GAL
Carbohydrate polymer
5 bound ligands:
Ligand SER 1 x SER
Ligand CA 3 x CA
Ligand MN 1 x MN
Ligand CIT 2 x CIT
Ligand EDO 31 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Unit cell:
a: 87.069Å b: 121.964Å c: 139.605Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.15 0.149 0.179
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Glycan-metabolizing enzymes in microbe-host interactions: the Streptococcus pneumoniae paradigm.
Hobbs et al. (2018)
1 more

1 mention without citation

Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights into Its Mechanism.
Gregg et al. (2015)