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Structure paper

TitleNeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB.
Journal, issue, pagesBiochemistry, Vol. 58, Page 4236-4245, Year 2019
Publish dateJul 8, 2019 (structure data deposition date)
AuthorsPopovic, V. / Morrison, E. / Rosanally, A.Z. / Balachandran, N. / Senson, A.W. / Szabla, R. / Junop, M.S. / Berti, P.J.
External linksBiochemistry / PubMed:31549502
MethodsX-ray diffraction
Resolution1.85 - 2.4 Å
Structure data

PDB-6ppw:
Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis, in complex with magnesium and malate
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-6ppx:
Crystal structure of metal-free NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis in complex with malate
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-6ppy:
Crystal structure of NeuNAc oxime complexed with NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-6ppz:
Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis, in complex with manganese, inorganic phosphate, and N-acetylmannosamine (NeuB.Mn2+.Pi.ManNAc)
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-MLT:
D-MALATE

ChemComp-HOH:
WATER

ChemComp-OVY:
(2E,4S,5R,6R,7S,8R)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name)

ChemComp-MN9:
2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE

ChemComp-MN:
Unknown entry

ChemComp-PO4:
PHOSPHATE ION

Source
  • neisseria meningitidis serogroup b (bacteria)
KeywordsBIOSYNTHETIC PROTEIN / TRANSFERASE / NeuB / sialic acid synthase / N-acetylneuraminate synthase / inhibitor complex / N-acetyl-neuraminate synthase / NeuNAc oxime / Siac / phosphate / N-acetylmannosamine

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