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 17008

Title: Solution NMR Structure of Peptide methionine sulfoxide reductase msrB from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR10

Authors: Ertekin, Asli; Cooper, Bonnie; Ciccosanti, Colleen; Rost, Burkhard; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Rossi, Paolo; Maglaqui, Melissa; Janjua, Haleema; Prestegard, James; Lee, Hsiau-Wei; Aramini, James

Citation: Ertekin, Asli; Xiao, R.; Montelione, G.. "Northeast Structural Genomics Consortium Target SR10"  To be published ., .-..

Assembly members:
SR10, polymer, 151 residues, 17145.258 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):
SR10: MAYNKEEKIKSLNRMQYEVT QNNGTEPPFQNEYWDHKEEG LYVDIVSGKPLFTSKDKFDS QCGWPSFTKPIEEEVEEKLD TSHGMIRTEVRSRTADSHLG HVFNDGPGPNGLRYCINSAA LRFVPKHKLKEEGYESYLHL FNKLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts456
15N chemical shifts140
1H chemical shifts276

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SR101

Entities:

Entity 1, SR10 151 residues - 17145.258 Da.

The construct studied has LEHHHHHH purification tag on C-terminus.

1   METALATYRASNLYSGLUGLULYSILELYS
2   SERLEUASNARGMETGLNTYRGLUVALTHR
3   GLNASNASNGLYTHRGLUPROPROPHEGLN
4   ASNGLUTYRTRPASPHISLYSGLUGLUGLY
5   LEUTYRVALASPILEVALSERGLYLYSPRO
6   LEUPHETHRSERLYSASPLYSPHEASPSER
7   GLNCYSGLYTRPPROSERPHETHRLYSPRO
8   ILEGLUGLUGLUVALGLUGLULYSLEUASP
9   THRSERHISGLYMETILEARGTHRGLUVAL
10   ARGSERARGTHRALAASPSERHISLEUGLY
11   HISVALPHEASNASPGLYPROGLYPROASN
12   GLYLEUARGTYRCYSILEASNSERALAALA
13   LEUARGPHEVALPROLYSHISLYSLEULYS
14   GLUGLUGLYTYRGLUSERTYRLEUHISLEU
15   PHEASNLYSLEUGLUHISHISHISHISHIS
16   HIS

Samples:

SR10.026: SR10, [U-100% 13C; U-100% 15N; U-100% 2H], 0.8 mM; DTT 10 mM; sodium azide 0.02%; calcium chloride 5 mM; sodium chloride 100 mM; protease inhibitor 1 x; MES 20 mM; DSS 50 uM; H2O 90%; D2O 10%

SR10.022: SR10, [U-5% 13C; U-100% 15N], 1.2 mM; DTT 10 mM; sodium azide 0.02%; calcium chloride 5 mM; sodium chloride 100 mM; protease inhibitor 1 x; MES 20 mM; DSS 50 uM; H2O 90%; D2O 10%

SR10.022_2: SR10, [U-5% 13C; U-100% 15N], 1.2 mM; DTT 10 mM; sodium azide 0.02%; calcium chloride 5 mM; sodium chloride 200 mM; protease inhibitor 1 x; MES 20 mM; DSS 50 uM; H2O 90%; D2O 10%

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

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCSR10.026isotropicsample_conditions_1
2D 1H-13C HSQCSR10.026isotropicsample_conditions_1
3D HNCOSR10.026isotropicsample_conditions_1
3D HNCASR10.026isotropicsample_conditions_1
3D TRHNCACB 2H decSR10.026isotropicsample_conditions_1
3D HN(CA)COSR10.026isotropicsample_conditions_1
2D 1H-15N HSQC - T1SR10.026isotropicsample_conditions_1
2D 1H-15N HSQC - T2SR10.026isotropicsample_conditions_1
3D 1H-15N NOESYSR10.026isotropicsample_conditions_1
3D 1H-13C NOESYSR10.026isotropicsample_conditions_1
3D (N15)HSQC-NOESY-(N15)HSQCSR10.026isotropicsample_conditions_1
3D (C13)HSQC-NOESY-(C13)HSQCSR10.026isotropicsample_conditions_1
3D (N15)HSQC-NOESY-(C13)HSQCSR10.026isotropicsample_conditions_1
3D (C13)HSQC-NOESY-(N15)HSQCSR10.026isotropicsample_conditions_1
2D 1H-13C HSQCSR10.022isotropicsample_conditions_1
2D 1H-15N TROSYSR10.022_2anisotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - geometry optimization, refinemen, structure solution

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - geometry optimization, structure solution

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

TOPSPIN, Bruker Biospin - collection

SPARKY, Goddard - data analysis, peak picking

TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization

PALES, PALES (Zweckstetter, Bax) - geometry optimization

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Varian INOVA 600 MHz

Related Database Links:

PDB
DBJ BAI85662 BAM52650 BAM58225 GAK79338
EMBL CAB14086 CCU58667 CEI57380 CEJ77805 CJS85990
GB AAA96648 ADV92894 AEP91184 AFQ58114 AGA23472
REF NP_390051 WP_003230813 WP_014477116 WP_014480061 WP_021481498
SP P54155