BMRB Entry 27199

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27199

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Title:
1H and 15N chemical shift assignments of human S100B
Deposition date:
2017-08-02
Original release date:
2018-09-06
Authors:
Cristovao, Joana; Cardoso, Isabel; Leal, Sonia; Fernandez, Javier; Botelho, Hugo; David, Rodrigo; Goebl, Christoph; Kierdorf, Katrin; Madl, Tobias; Fritz, Guenter; Reif, Bernd; Gomes, Claudio
Citation:

Citation: Cristovao, Joana; Morris, Vanessa; Cardoso, Isabel; Leal, Sonia; Martinez, Javier; Botelho, Hugo; Gobl, Christoph; David, Rodrigo; Kierdorf, Katrin; Alemi, Mobina; Madl, Tobias; Fritz, Gunter; Reif, Bernd; Gomes, Claudio. "The neuronal S100B protein is a calcium-tuned suppressor of amyloid-beta aggregation."  Sci. Adv. 4, e1702-e1702 (2018).
PubMed: 29963623

Assembly members:

Assembly members:
S100B, polymer, 92 residues, Formula weight is not available
CALCIUM ION, non-polymer, 40.078 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: plasmid

Entity Sequences (FASTA):

Entity Sequences (FASTA):
S100B: MSELEKAMVALIDVFHQYSG REGDKHKLKKSELKELINNE LSHFLEEIKEQEVVDKVMET LDNDGDGECDFQEFMAFVAM VTTACHEFFEHE

Data sets:
Data typeCount
15N chemical shifts87
1H chemical shifts131

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1S100B dimer, 11
2S100B dimer, 21
3CALCIUM ION, 12
4CALCIUM ION, 22

Entities:

Entity 1, S100B dimer, 1 92 residues - Formula weight is not available

1   METSERGLULEUGLULYSALAMETVALALA
2   LEUILEASPVALPHEHISGLNTYRSERGLY
3   ARGGLUGLYASPLYSHISLYSLEULYSLYS
4   SERGLULEULYSGLULEUILEASNASNGLU
5   LEUSERHISPHELEUGLUGLUILELYSGLU
6   GLNGLUVALVALASPLYSVALMETGLUTHR
7   LEUASPASNASPGLYASPGLYGLUCYSASP
8   PHEGLNGLUPHEMETALAPHEVALALAMET
9   VALTHRTHRALACYSHISGLUPHEPHEGLU
10   HISGLU

Entity 2, CALCIUM ION, 1 - Ca - 40.078 Da.

1   CA

Samples:

S100B_forHSQC: S100B, [U-98% 15N], 100 uM; Calcium_Ion 10 mM; DTT 5 mM; HEPES 50 mM; D2O 10%

S100B_forNOESY: S100B, [U-98% 15N], 430 uM; Calcium Ion 10 mM; DTT 5 mM; HEPES 50 mM; D2O 10%

sample_conditions_1: ionic strength: 65 mM; pH: 7.3; pressure: 1 atm; temperature: 277 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCS100B_forHSQCisotropicsample_conditions_1
3D 1H-15N NOESYS100B_forNOESYisotropicsample_conditions_1

Software:

TOPSPIN v3.5, Bruker Biospin - collection, processing

CCPNMR_Analysis v2.4, CCPN - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 600 MHz

Related Database Links:

UNP P04271
AlphaFold D3DSN6

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks