caa a22 4500 477135765 CHVBK 20180405111717.0 cr unu---uuuuu 170330e19970701xx s 000 0 eng 10.1023/A:1018397213369 doi (NATIONALLICENCE)springer-10.1023/A:1018397213369 Assignment and secondary structure of calcium-bound human S100B [Elektronische Daten] [Steven Smith, Gary Shaw] The NMR assignments of backbone 1H, 13C,and 15N resonances for calcium-bound human S100B werecompleted via heteronuclear multidimensional NMR spectroscopic techniques.NOE correlations, amide exchange, 3JHNHαcoupling constants, and CSI analysis were used to identify the secondarystructure for Ca-S100B. The protein is comprised of four helices (helix I,Glu2-;Arg20; helix II,Glu31-;Asn38; helix III,Gln50-;Thr59; helix IV,Phe70-;Phe87), three loops (loop I,Glu21-;His25; loop II,Glu39-;Glu49; loop III,Leu60-;Gly66), and two β-strands(strand I, Lys26>-;Lys28; strand II,Glu67-;Asp69) which form a shortantiparallel β-sheet. Helix IV is extended by approximately one turnwhen compared to the secondary structures of apo-rat [Drohat et al. (1996)Biochemistry, 35, 11577-;11588] and bovine S100B [Kilby et al. (1996)Structure, 4, 1041-;1052]. In addition, several residues outside thecalcium-binding loops in S100B undergo significant backbone chemical shiftchanges upon binding calcium which are not observed in the related proteincalbindin D9k. Together these observations support previoussite-directed mutagenesis, absorption spectroscopy, and cysteine chemicalreactivity experiments, suggesting that the C-terminus in Ca-S100B isimportant for interactions with other proteins. Kluwer Academic Publishers, 1997 S100B nationallicence Calcium-bound nationallicence Secondary structure nationallicence S100 protein family nationallicence Smith Steven Department of Biochemistry and McLaughlin Macromolecular Structure Facility, University of Western Ontario, N6A 5C1, London, ON, Canada aut Shaw Gary Department of Biochemistry and McLaughlin Macromolecular Structure Facility, University of Western Ontario, N6A 5C1, London, ON, Canada aut Journal of Biomolecular NMR Kluwer Academic Publishers 10/1(1997-07-01), 77-88 0925-2738 10:1<77 1997 10 10858 https://doi.org/10.1023/A:1018397213369 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1023/A:1018397213369 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Smith Steven Department of Biochemistry and McLaughlin Macromolecular Structure Facility, University of Western Ontario, N6A 5C1, London, ON, Canada aut NATIONALLICENCE 700 1- Shaw Gary Department of Biochemistry and McLaughlin Macromolecular Structure Facility, University of Western Ontario, N6A 5C1, London, ON, Canada aut NATIONALLICENCE 773 0- Journal of Biomolecular NMR Kluwer Academic Publishers 10/1(1997-07-01), 77-88 0925-2738 10:1<77 1997 10 10858 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer