Laboratory for Molecular Structure, National Institute for Biological Standards and Control, South Mimms, UK, Division of Bacteriology, National Institute for Biological Standards and Control, South Mimms, UK
Full proton, 13C and 31P NMR assignments for the capsular polysaccharide from Streptococcus pneumoniae Type 17F are reported, and a revised structure differing in the anomeric configuration of the sidechain β-Galp residue proposed. This polysaccharide is a component of the current 23-valent polysaccharide vaccine. The implications of this revised structure for published work are discussed.
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
0,2,4,3,3,4 bLRhap
0,2,4,3,3 bDGlcp 105.07 74.24 ? ? ? ?
0,2,4,3 aDGalp 93.51 67.91 81.00 70.10 71.79 62.38
0,2,4,4 bDGalp 103.89 71.78 74.56 69.82 ? ?
0,2,4 bLRhap 101.26 66.33 73.56 76.49 72.25 18.29
0,2 aLRhap 100.14 71.20 70.08 83.58 68.64 17.61
0 xDAra-ol ? 74.44 ? ? ?
P
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
0,2,4,3,3,4 bLRhap
0,2,4,3,3 bDGlcp 4.631 3.416 ? ? ? ?
0,2,4,3 aDGalp 5.287 4.072 4.172 4.241 4.262 3.742-3.742
0,2,4,4 bDGalp 4.672 3.512 3.576 3.940 ? ?
0,2,4 bLRhap 4.754 4.402 4.090 3.940 3.583 1.401
0,2 aLRhap 5.097 4.103 3.928 3.604 3.942 1.311
0 xDAra-ol
P
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
0,2,4,3,3,4 bLRhap
0,2,4,3,3 bDGlcp 105.07/4.631 74.24/3.416 ?/? ?/? ?/? ?/?
0,2,4,3 aDGalp 93.51/5.287 67.91/4.072 81.00/4.172 70.10/4.241 71.79/4.262 62.38/3.742-3.742
0,2,4,4 bDGalp 103.89/4.672 71.78/3.512 74.56/3.576 69.82/3.940 ?/? ?/?
0,2,4 bLRhap 101.26/4.754 66.33/4.402 73.56/4.090 76.49/3.940 72.25/3.583 18.29/1.401
0,2 aLRhap 100.14/5.097 71.20/4.103 70.08/3.928 83.58/3.604 68.64/3.942 17.61/1.311
0 xDAra-ol NMR TSV error 2: unequal length of 13C and 1H datasets
P
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