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 6583

Title: 1H, 13C, and 15N NMR Sequence-specific Resonance Assignments for Rat Ca2+-S100A1   PubMed: 16169012

Deposition date: 2005-04-07 Original release date: 2005-11-01

Authors: Wright, Nathan; Varney, Kristen; Ellis, Karen; Gitti, Rossitza; Zimmer, Danna; Weber, David

Citation: Wright, Nathan; Varney, Kristen; Ellis, Karen; Markowitz, J.; Gitti, Rossitza; Zimmer, Danna; Weber, David. "The Three-dimensional Solution Structure of Ca(2+)-bound S100A1 as Determined by NMR Spectroscopy"  J. Mol. Biol. 353, 410-426 (2005).

Assembly members:
S100A1, polymer, 94 residues, 10545 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

Entity Sequences (FASTA):
S100A1: MGSELETAMETLINVFHAHS GKEGDKYKLSKKELKDLLQT ELSSFKDVQKDADAVDKIMK ELDENGDGEVDFQEFVVLVA ALTVACNNFFWENS

Data sets:
Data typeCount
13C chemical shifts285
15N chemical shifts93
1H chemical shifts531

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1S100A1, chain 11
2S100A1, chain 21
3Calcium, 12
4Calcium, 22
5Calcium, 32
6Calcium, 42

Entities:

Entity 1, S100A1, chain 1 94 residues - 10545 Da.

1   METGLYSERGLULEUGLUTHRALAMETGLU
2   THRLEUILEASNVALPHEHISALAHISSER
3   GLYLYSGLUGLYASPLYSTYRLYSLEUSER
4   LYSLYSGLULEULYSASPLEULEUGLNTHR
5   GLULEUSERSERPHELYSASPVALGLNLYS
6   ASPALAASPALAVALASPLYSILEMETLYS
7   GLULEUASPGLUASNGLYASPGLYGLUVAL
8   ASPPHEGLNGLUPHEVALVALLEUVALALA
9   ALALEUTHRVALALACYSASNASNPHEPHE
10   TRPGLUASNSER

Entity 2, Calcium, 1 - Ca - 40.078 Da.

1   CA

Samples:

sample_1: S100A1, [U-13C; U-15N], 0.5 – 3 mM; Calcium mM; d11-Tris20 – 40 mM; CaCl2 20 mM; NaN3 0.35 mM; NaCl15 – 18 mM; DTT20 – 35 mM; D20 10%; H20 90%

sample_2: S100A1, [U-15N], 0.5 – 3 mM; Calcium mM; d11-Tris20 – 40 mM; CaCl2 20 mM; NaN3 0.35 mM; NaCl15 – 18 mM; DTT20 – 35 mM; D20 10%; H20 90%

conditions_1: pH: 7.2; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
1H15N_HSQCnot availableisotropicconditions_1
3D 15N_CBCA(CO)NHnot availablenot availableconditions_1
3D 15N_HNCACBnot availablenot availableconditions_1
3D 15N_edited_HOHAHA-HSQCnot availablenot availableconditions_1
3D 15N_edited_NOESY-HSQCnot availablenot availableconditions_1
3D 15N_edited HMQC-NOESY-HSQCnot availablenot availableconditions_1
3D 15N_edited HNHAnot availablenot availableconditions_1
3D 15N_edited_HNCOnot availablenot availableconditions_1
3D 15N_edited C(CO)NHnot availablenot availableconditions_1

Software:

No software information available

NMR spectrometers:

  • Bruker DMX 600 MHz
  • Bruker AVANCE 800 MHz

Related Database Links:

BMRB 15704 16050 4285
PDB
GB AAB53657 EDM00555
REF NP_001007637 XP_006232665
SP P35467
AlphaFold P35467

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