BMRB Entry 17089

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17089
MolProbity Validation Chart

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Title:
SH3-F2
Deposition date:
2010-07-30
Original release date:
2012-08-02
Authors:
Kutyshenko, Viktor; Gushchina, Lyubov; Khristoforov, Vladimir; Prokhorov, Dmitry; Timchenko, Maria; Kudrevatykh, Yuri; Fedyukina, Daria; Filimonov, Vladimir
Citation:

Citation: Kutyshenko, Viktor; Gushchina, Lyubov; Khristoforov, Vladimir; Prokhorov, Dmitry; Timchenko, Maria; Kudrevatykh, Yuri; Fedyukina, Daria; Filimonov, Vladimir. "Chimeric SHA-D domain ("SH3-Bergerac"): 3D-structure and dynamics studies in solution"  Bioorg. Khim. 36, 505-513 (2010).

Assembly members:

Assembly members:
SH3-F2, polymer, 73 residues, 8124.332 Da.

Natural source:

Natural source:   Common Name: Chicken   Taxonomy ID: 9031   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Gallus gallus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pBAT-4

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SH3-F2: MGAPPLPPYSAGGREVTMKK GDILTLLNSTNKDWWKVEVN DRQGFVPAAYVKKLDSGTGK ELVLALYDYQEKS

Data sets:
Data typeCount
13C chemical shifts319
15N chemical shifts75
1H chemical shifts519

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1SH3 monomer1

Entities:

Entity 1, SH3 monomer 73 residues - 8124.332 Da.

1   METGLYALAPROPROLEUPROPROTYRSER
2   ALAGLYGLYARGGLUVALTHRMETLYSLYS
3   GLYASPILELEUTHRLEULEUASNSERTHR
4   ASNLYSASPTRPTRPLYSVALGLUVALASN
5   ASPARGGLNGLYPHEVALPROALAALATYR
6   VALLYSLYSLEUASPSERGLYTHRGLYLYS
7   GLULEUVALLEUALALEUTYRASPTYRGLN
8   GLULYSSER

Samples:

sample_1: SH3-F2, [U-98% 13C; U-98% 15N], 1.5 mM; sodium acetate, [U-99% 2H], 20 mM; sodium azide 0.03%; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 20 mM; pH: 4.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CC(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSY-alisample_1isotropicsample_conditions_1
3D HCCH-TOCSY-arosample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY-alisample_1isotropicsample_conditions_1
3D 1H-13C NOESY-arosample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1

Software:

CYANA v2.1, P.GUNTERT ET AL. - refinement

xwinnmr v3.5, Bruker Biospin, Bruker Biospin, Cornilescu, Delaglio and Bax, Guntert, Mumenthaler and Wuthrich, Keller and Wuthrich, Koradi, Billeter and Wuthrich - chemical shift assignment, collection, data analysis, dihedral angle prediction, processing, structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 11027
PDB
REF XP_006119095

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