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Biological Magnetic Resonance Data Bank


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BMRB Entry 15350

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15350
MolProbity Validation Chart

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Title: Northeast Structural Genomics Target SR478

Deposition date: 2007-06-29 Original release date: 2007-07-31

Authors: Macnaughtan, Megan; Weldeghiorghis, Thomas; Wang, Xu; Bansal, Sonal; Tian, Fang; Wang, Dongyan; Janjua, Haleema; Cunningham, Kellie; Ma, Li-Chung; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Prestegard, James

Citation: Macnaughtan, Megan; Weldeghiorghis, Thomas; Wang, Xu; Bansal, Sonal; Tian, Fang; Wang, Dongyan; Janjua, Haleema; Cunningham, Kellie; Ma, Li-Chung; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Prestegard, James. "NMR Structure of the Bacillus subtilis Protein YvfG, Northeast Structural Genomics Target SR478"  Not known ., .-..

Assembly members:
SR478, polymer, 80 residues, 9556.924 Da.

Natural source:   Common Name: Bacillus subtilis   Taxonomy ID: 1423   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bacillus subtilis

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

Entity Sequences (FASTA):
SR478: MSELFSVPYFIENLKQHIEM NQSEDKIHAMNSYYRSVVST LVQDQLTKNAVVLKRIQHLD EAYNKVKRGESKLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts244
15N chemical shifts72
1H chemical shifts421
residual dipolar couplings52

Time Domain Data

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1SR478, subunit 11
2SR478, subunit 21

Entities:

Entity 1, SR478, subunit 1 80 residues - 9556.924 Da.

1   METSERGLULEUPHESERVALPROTYRPHE
2   ILEGLUASNLEULYSGLNHISILEGLUMET
3   ASNGLNSERGLUASPLYSILEHISALAMET
4   ASNSERTYRTYRARGSERVALVALSERTHR
5   LEUVALGLNASPGLNLEUTHRLYSASNALA
6   VALVALLEULYSARGILEGLNHISLEUASP
7   GLUALATYRASNLYSVALLYSARGGLYGLU
8   SERLYSLEUGLUHISHISHISHISHISHIS

Samples:

sample_4_NC5-PEG: SR478, [U-5% 13C; U-15N], 0.6 mM; Tris 10 mM; Sodium chloride 100 mM; Sodium azide 0.02%; Pentaethyleneglycol monodecyl ether/hexanol 4%

sample_1_NC: SR478, [U-13C; U-15N], 0.9 mM; Tris 10 mM; Sodium chloride 100 mM; Sodium azide 0.02%

sample_2_NC-14N: SR478, [U-13C; U-15N], 0.5 mM; SR478 0.5 mM; Tris 10 mM; Sodium chloride 100 mM; Sodium azide 0.02%

sample_3_NC5: SR478, [U-5% 13C; U-15N], 0.9 mM; Tris 10 mM; Sodium chloride 100 mM; Sodium azide 0.02%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1_NCisotropicsample_conditions_1
3D 1H-13C NOESY ALIPHsample_1_NCisotropicsample_conditions_1
3D 1H-13C NOESY ALIPH NC-14Nsample_2_NC-14Nisotropicsample_conditions_1
3D HNCOsample_1_NCisotropicsample_conditions_1
3D 1H-13C NOESY AROMATICsample_1_NCisotropicsample_conditions_1
3D HNCACBsample_1_NCisotropicsample_conditions_1
2D 1H-13C HSQC ALIPHsample_1_NCisotropicsample_conditions_1
3D 1H-15N NOESYsample_1_NCisotropicsample_conditions_1
2D 1H-13C HSQC ALIPH 13C-Coupledsample_3_NC5isotropicsample_conditions_1
3D HCCH-TOCSYsample_1_NCisotropicsample_conditions_1
3D CBCA(CO)NHsample_1_NCisotropicsample_conditions_1
3D H(CCO)NHsample_1_NCisotropicsample_conditions_1
3D C(CO)NHsample_1_NCisotropicsample_conditions_1
2D 1H-13C HSQC AROMATICsample_1_NCisotropicsample_conditions_1
2D 1H-15N HSQC NH2sample_1_NCisotropicsample_conditions_1
2D 1H-15N HSQC RDCsample_4_NC5-PEGanisotropicsample_conditions_1

Software:

VNMRJ, Varian - collection

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

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

CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment, data analysis, refinement

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

TALOS, Cornilescu, Delaglio and Bax - data analysis

PSVS, Bhattacharya and Montelione - data analysis

Smartnotebook, (Smartnotebook) Slupsky, Boyko, Booth, and Sykes - chemical shift assignment

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz
  • Varian INOVA 900 MHz

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