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Structure paper

TitlePolyvalent Transition-State Analogues of Sialyl Substrates Strongly Inhibit Bacterial Sialidases*.
Journal, issue, pagesChemistry, Vol. 27, Page 3142-3150, Year 2021
Publish dateAug 20, 2020 (structure data deposition date)
AuthorsAssailly, C. / Bridot, C. / Saumonneau, A. / Lottin, P. / Roubinet, B. / Krammer, E.M. / Francois, F. / Vena, F. / Landemarre, L. / Alvarez Dorta, D. ...Assailly, C. / Bridot, C. / Saumonneau, A. / Lottin, P. / Roubinet, B. / Krammer, E.M. / Francois, F. / Vena, F. / Landemarre, L. / Alvarez Dorta, D. / Deniaud, D. / Grandjean, C. / Tellier, C. / Pascual, S. / Montembault, V. / Fontaine, L. / Daligault, F. / Bouckaert, J. / Gouin, S.G.
External linksChemistry / PubMed:33150981
MethodsX-ray diffraction
Resolution1.94 - 2.7 Å
Structure data

PDB-7a54:
Two copies of the catalytic domain of NanA sialidase from Streptococcus pneumoniae juxtaposed in the P212121 space group, in complex with DANA
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-7a5x:
Two copies of the catalytic domain of NanA sialidase from Streptococcus pneumoniae juxtaposed in the P212121 space group, in complex with DANA derivatized with a PEG linker on the glycerol group.
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

Chemicals

ChemComp-DAN:
2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID

ChemComp-HOH:
WATER

ChemComp-R7H:
(4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{S})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

ChemComp-CA:
Unknown entry

Source
  • streptococcus pneumoniae (bacteria)
KeywordsSTRUCTURAL PROTEIN / Sialidase / Catalytic domain / DANA / CA170

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