BMRB Entry 5206

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5206
MolProbity Validation Chart

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Title:
Backbone and sidechain 1H, 13C, and 15N Chemical Shift Assignments for Human S100B in Calcium-bound Form
Deposition date:
2001-11-12
Original release date:
2002-05-24
Authors:
Smith, Steven; Shaw, Gary
Citation:

Citation: Smith, Steven; Shaw, Gary. "A novel calcium-sensitive switch revealed by the structure of human S100B in the calcium-bound form "  Structure 6, 211-222 (1998).
PubMed: 9519411

Assembly members:

Assembly members:
S100B, polymer, 92 residues, Formula weight is not available
CA, 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

Entity Sequences (FASTA):

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

Data sets:
Data typeCount
1H chemical shifts523
13C chemical shifts332
15N chemical shifts93

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1S100B subunit 11
2S100B subunit 21
3CALCIUM (II) ION 12
4CALCIUM (II) ION 22
5CALCIUM (II) ION 32
6CALCIUM (II) ION 42

Entities:

Entity 1, S100B subunit 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 (II) ION 1 - Ca - 40.078 Da.

1   CA

Samples:

Sample_1: S100B, [U-95% 13C; U-90% 15N], 2.0 – 2.5 mM

Ex-cond_1: pH: 7.05; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
HNCACBSample_1not availableEx-cond_1
CBCACONHSample_1not availableEx-cond_1
HNCOSample_1not availableEx-cond_1
HNHASample_1not availableEx-cond_1
1H-15N NOESYSample_1not availableEx-cond_1
1H-15N HSQCSample_1not availableEx-cond_1
1H-13C HSQCSample_1not availableEx-cond_1
1H-13C NOESYSample_1not availableEx-cond_1
HCCH-TOCSYSample_1not availableEx-cond_1

Software:

NMRPipe - data processing

NMRPipp vNMRPipp - peak assignments

NMR spectrometers:

  • Varian UNITY 500 MHz

Related Database Links:

SWISS-PROT P50114 Q6YNR6 P04271
REF XP_001097929 NP_033141 XP_001097830 NP_001076199 NP_006263
GenBank AAL12231 AAH01766 AAH61178 AAA03075 AAA60367
PRF 2003367B
DBJ BAE88979 BAE22413 BAE36647 BAE22214
EMBL CAG46920
PDB
BMRB 5377

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