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 18531

Title: Three-State Ensemble obtained from eNOEs of the Third Immunoglobulin Binding Domain of Protein G (GB3)   PubMed: 22940676

Authors: Vogeli, Beat; Kazemi, Sina; Guntert, Peter; Riek, Roland

Citation: Vogeli, Beat; Kazemi, Sina; Guntert, Peter; Riek, Roland. "Spatial elucidation of motion in proteins by ensemble-based structure calculation using exact NOEs."  Nat. Struct. Mol. Biol. 19, 1053-1057 (2012).

Assembly members:
GB3, polymer, 56 residues, 6214.909 Da.

Natural source:   Common Name: Firmicutes   Taxonomy ID: 1306   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptococcus not available

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

Entity Sequences (FASTA):
GB3: MQYKLVINGKTLKGETTTKA VDAETAEKAFKQYANDNGVD GVWTYDDATKTFTVTE

Data sets:
Data typeCount
13C chemical shifts185
15N chemical shifts54
1H chemical shifts386

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1GB31

Entities:

Entity 1, GB3 56 residues - 6214.909 Da.

1   METGLNTYRLYSLEUVALILEASNGLYLYS
2   THRLEULYSGLYGLUTHRTHRTHRLYSALA
3   VALASPALAGLUTHRALAGLULYSALAPHE
4   LYSGLNTYRALAASNASPASNGLYVALASP
5   GLYVALTRPTHRTYRASPASPALATHRLYS
6   THRPHETHRVALTHRGLU

Samples:

sample_1: GB3, [U-95% 13C; U-95% 15N], 4 mM; potassium phosphate 50 mM; sodium azide 0.5 mg/mL; sodium chloride 50 mM; H2O 97%; D2O 3%

sample_conditions_1: ionic strength: 0.05 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D [13C,15N]-resolved NOESYsample_1isotropicsample_conditions_1
3D [15N]-resolved NOESYsample_1isotropicsample_conditions_1
3D [15N]-resolved NOESYsample_1isotropicsample_conditions_1

Software:

CYANA vnot released, Guntert, Mumenthaler and Wuthrich - refinement, structure solution

NMR spectrometers:

  • Bruker Avance 700 MHz
  • Bruker Avance 900 MHz

Related Database Links:

BMRB 15283 2575 25807
PDB
GB AAA26921 AAB27024 ABL60854 ABL60859 ABO76907