BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 15923

Title: Ca2+-S100B   PubMed: 18949447

Authors: Wright, Nathan; Inman, Keith; Levine, Jonathan; Weber, David

Citation: Wright, Nathan; Inman, Keith; Levine, Jonathan; Cannon, Brian; Varney, Kristen; Weber, David. "Refinement of the solution structure and dynamic properties of Ca2+-bound rat S100B"  J. Biomol. NMR 42, 279-286 (2008).

Assembly members:
rat S100B, polymer, 91 residues, 10649.006 Da.
CA, non-polymer, 40.078 Da.

Natural source:   Common Name: Rat   Taxonomy ID: 10116   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Rattus norvegicus

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

Entity Sequences (FASTA):
rat S100B: SELEKAMVALIDVFHQYSGR EGDKHKLKKSELKELINNEL SHFLEEIKEQEVVDKVMETL DEDGDGECDFQEFMAFVSMV TTACHEFFEHE

Data sets:
Data typeCount
heteronuclear NOE values157
residual dipolar couplings167
T1 relaxation values158
T2 relaxation values158

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_1, chain 11
2entity_1, chain 21
3CALCIUM ION_12
4CALCIUM ION_22
5CALCIUM ION_32

Entities:

Entity 1, entity_1, chain 1 91 residues - 10649.006 Da.

1   SERGLULEUGLULYSALAMETVALALALEU
2   ILEASPVALPHEHISGLNTYRSERGLYARG
3   GLUGLYASPLYSHISLYSLEULYSLYSSER
4   GLULEULYSGLULEUILEASNASNGLULEU
5   SERHISPHELEUGLUGLUILELYSGLUGLN
6   GLUVALVALASPLYSVALMETGLUTHRLEU
7   ASPGLUASPGLYASPGLYGLUCYSASPPHE
8   GLNGLUPHEMETALAPHEVALSERMETVAL
9   THRTHRALACYSHISGLUPHEPHEGLUHIS
10   GLU

Entity 2, CALCIUM ION_1 - Ca - 40.078 Da.

1   CA

Samples:

sample_1: S100B, [U-15N], 400 uM; CaCl2 10 mM; NaCl 25 mM; MES, pH 6.7, [U-99% 2H], 10 mM; DTT 10 mM; NaN3 .1 mM

sample_conditions_1: ionic strength: 50 mM; pH: 6.7; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
IPAPsample_1anisotropicsample_conditions_1
HNCOCAsample_1anisotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - processing, structure solution

NMR spectrometers:

  • Bruker DMX 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

BMRB 4001 4099 4105 4702
PDB
DBJ BAB43945 BAE22214 BAE22413 BAE36647 BAE88979
EMBL CAA25567 CAG46920
GB AAA03075 AAA42096 AAA60367 AAH01766 AAH61178
PRF 2003367B
REF NP_001076199 NP_001233735 NP_001247455 NP_001270589 NP_006263
SP P04271 P04631 P50114 Q6YNR6