› 6ppx

X-ray diffraction
1.85Å resolution

Crystal structure of metal-free NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis in complex with malate

Released:
DOI: 10.2210/pdb6ppx/pdb
PDB entry 6ppx coloured by chain, front view.
PDB entry 6ppx coloured by chain, side view.
PDB entry 6ppx coloured by chain, top view.
Source organism: Neisseria meningitidis serogroup B
Primary publication:
NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB.
Popović V, Morrison E, Rosanally AZ, Balachandran N, Senson AW, Szabla R, Junop MS, Berti PJ
Biochemistry 58 4236-4245 (2019)
PMID: 31549502

Function and Biology Details

Reaction catalysed: 
Phosphoenolpyruvate + N-acetyl-D-mannosamine + H(2)O = phosphate + N-acetylneuraminate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-124771 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
AFP-like domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 349 amino acids
Theoretical weight: 38.4 KDa
Source organism: Neisseria meningitidis serogroup B
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: H2VFG5 (Residues: 1-349; Coverage: 100%)
Gene name: synC
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand MLT 1 x MLT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P21212
Unit cell:
a: 58.07Å b: 76.2Å c: 77.55Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.188 0.242
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Advances in UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA) Covalent Inhibition.
de Oliveira et al. (2022)