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 16448

Title: Resonance assignments of the SH3 domain of phosphatidylinositol-3-kinase (PI3-SH3) in amyloid fibril form determined by MAS NMR spectroscopy   PubMed: 19562810

Authors: Bayro, Marvin; Maly, Thorsten; Birkett, Neil; Dobson, Christopher; Griffin, Robert

Citation: Bayro, Marvin; Maly, Thorsten; Birkett, Neil; Dobson, Christopher; Griffin, Robert. "Long-range correlations between aliphatic 13C nuclei in protein MAS NMR spectroscopy."  Angew. Chem. Int. Ed. Engl. 48, 5708-5710 (2009).

Assembly members:
PI3-SH3, polymer, 86 residues, Formula weight is not available

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

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

Entity Sequences (FASTA):
PI3-SH3: GSMSAEGYQYRALYDYKKER EEDIDLHLGDILTVNKGSLV ALGFSDGQEAKPEEIGWLNG YNETTGERGDFPGTYVEYIG RKKISP

Data sets:
Data typeCount
13C chemical shifts247
15N chemical shifts68

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PI3-SH3 subunits1

Entities:

Entity 1, PI3-SH3 subunits 86 residues - Formula weight is not available

1   GLYSERMETSERALAGLUGLYTYRGLNTYR
2   ARGALALEUTYRASPTYRLYSLYSGLUARG
3   GLUGLUASPILEASPLEUHISLEUGLYASP
4   ILELEUTHRVALASNLYSGLYSERLEUVAL
5   ALALEUGLYPHESERASPGLYGLNGLUALA
6   LYSPROGLUGLUILEGLYTRPLEUASNGLY
7   TYRASNGLUTHRTHRGLYGLUARGGLYASP
8   PHEPROGLYTHRTYRVALGLUTYRILEGLY
9   ARGLYSLYSILESERPRO

Samples:

sample_1: PI3-SH3, [U-13C; U-15N], 8 mg

sample_2: PI3-SH3, [2-13C Glycerol; U-15N], 8 mg

sample_conditions_1: ionic strength: 0.05 M; pH: 2.0; pressure: 1 atm; temperature: 283 K

Experiments:

NameSampleSample stateSample conditions
2D TEDOR-1sample_2solidsample_conditions_1
2D TEDOR-2sample_2solidsample_conditions_1
2D BASE RFDR-3sample_2solidsample_conditions_1
2D RFDR-2sample_2solidsample_conditions_1
2D CMARsample_1solidsample_conditions_1
2D NCACXsample_1solidsample_conditions_1
2D NCOCXsample_1solidsample_conditions_1

Software:

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

SPARKY, Goddard - data analysis

NMR spectrometers:

  • Ruben/MIT Custom 750 MHz
  • Ruben/MIT Custom 700 MHz

Related Database Links:

BMRB 17121 19110
PDB
EMBL CAH92731
GB AAA79511 AAH94795 EAW51312 EAW51313 EFB13241
REF NP_001126593 NP_001248126 NP_777000 NP_852664 XP_001491621
SP P23727 P27986 Q5R685
TPG DAA17994