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 17061

Title: The Effects of CapZ Peptide (TRTK-12) Binding to S100B-Ca2+ as Examined by NMR and X-ray Crystallography   PubMed: 20053360

Deposition date: 2010-07-13 Original release date: 2010-09-08

Authors: Charpentier, Thomas; Thompson, Laura; Liriano, Melissa; Varney, Kristen; Wilder, Paul; Pozharski, Edwin; Toth, Eric; Weber, David

Citation: Charpentier, Thomas; Thompson, Laura; Liriano, Melissa; Varney, Kristen; Wilder, Paul; Pozharski, Edwin; Toth, Eric; Weber, David. "The Effects of CapZ Peptide (TRTK-12) Binding to S100B-Ca2+ as Examined by NMR and X-ray Crystallography"  J. Mol. Biol. 396, 1227-1243 (2010).

Assembly members:
S100BE72A, polymer, 91 residues, Formula weight is not available
CA, non-polymer, 40.078 Da.

Natural source:   Common Name: cattle   Taxonomy ID: 9913   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Bos taurus

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

Entity Sequences (FASTA):
S100BE72A: SELEKAVVALIDVFHQYSGR EGDKHKLKKSELKELINNEL SHFLEEIKEQEVVDKVMETL DSDGDGECDFQAFMAFVAMI TTACHEFFEHE

Data sets:
  • assigned_chemical_shifts
  • binding_constants
Data typeCount
binding constants1

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1S100BE72A1
2CA2

Entities:

Entity 1, S100BE72A 91 residues - Formula weight is not available

1   SERGLULEUGLULYSALAVALVALALALEU
2   ILEASPVALPHEHISGLNTYRSERGLYARG
3   GLUGLYASPLYSHISLYSLEULYSLYSSER
4   GLULEULYSGLULEUILEASNASNGLULEU
5   SERHISPHELEUGLUGLUILELYSGLUGLN
6   GLUVALVALASPLYSVALMETGLUTHRLEU
7   ASPSERASPGLYASPGLYGLUCYSASPPHE
8   GLNALAPHEMETALAPHEVALALAMETILE
9   THRTHRALACYSHISGLUPHEPHEGLUHIS
10   GLU

Entity 2, CA - Ca - 40.078 Da.

1   CA

Samples:

sample_1: S100BE72A, [U-15N], 0.25 mM; TRTK-12 0.625 mM; sodium azide 0.34 mM; sodium chloride 15 mM; calcium chloride 15 mM; Tes buffer 10 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 7.2; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

NMRView, Johnson, One Moon Scientific - data analysis

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

PDB
GB AAA72205 AAI03042 AAI34728 ABA39829 AGG82675
PRF 0408231A
REF NP_001029727 XP_005902390 XP_006047095 XP_010833159
SP P02638
TPG DAA32950