BMRB Entry 5895

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5895

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Title:
1H, 13C, and 15N resonance assignments for Zn2+ and Ca2+ bound S100B
Deposition date:
2003-08-01
Original release date:
2003-12-19
Authors:
Wilder, Paul; Baldisseri, Donna; Udan, Ryan; Vallely, Kristen; Weber, David
Citation:

Citation: Wilder, Paul; Baldisseri, Donna; Udan, Ryan; Vallely, Kristen; Weber, David. "Location of the Zn2+ binding site on S100B as determined by NMR spectroscopy and site-directed mutagenesis "  Biochemistry 42, 13410-13421 (2003).
PubMed: 14621986

Assembly members:

Assembly members:
S100B, polymer, 92 residues, 12000 Da.
CA, non-polymer, 40.078 Da.
ZN, non-polymer, 65.409 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET11b

Entity Sequences (FASTA):

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

Data sets:
Data typeCount
1H chemical shifts398
13C chemical shifts251
15N chemical shifts91

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
7ZINC (II) ION, 13
8ZINC (II) ION, 23

Entities:

Entity 1, S100B subunit 1 92 residues - 12000 Da.

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

Entity 2, CALCIUM (II) ION, 1 - Ca - 40.078 Da.

1   CA

Entity 3, ZINC (II) ION, 1 - Zn - 65.409 Da.

1   ZN

Samples:

Sample_1: S100B, [U-15N], 3.0 mM; CaCl2 10 mM; Zinc acetate 3 mM; TES 10 mM; NaCl 15 mM; Sodium azide 0.34 mM; D2O 10%

Sample_2: S100B, [U-13C; U-15N], 3.0 mM; CaCl2 10 mM; Zinc acetate 3 mM; TES 10 mM; NaCl 15 mM; Sodium azide 0.34 mM; D2O 10%

Conditions_1: pH: 7.2; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N fast HSQCnot availablenot availableConditions_1
2D 1H-15N long range HSQCnot availablenot availableConditions_1
3D 15N-edited NOESY-HSQCnot availablenot availableConditions_1
3D 15N-edited HOHAHA-HSQCnot availablenot availableConditions_1
3D 15N,15N-edited HMQC-NOESY-HSQCnot availablenot availableConditions_1
3D HNHAnot availablenot availableConditions_1
3D CBCA(CO)NHnot availablenot availableConditions_1
3D HNCACBnot availablenot availableConditions_1
3D HNCAnot availablenot availableConditions_1
3D HNCOnot availablenot availableConditions_1
4D 13C,15N-edited NOESY-HSQCnot availablenot availableConditions_1

Software:

No software information available

NMR spectrometers:

  • Bruker DMX 600 MHz

Related Database Links:

BMRB 15923 18995 4001 4105 5206
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
AlphaFold P04271 P04631 P50114 Q6YNR6

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