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

Deposition date: 2010-06-18 Original release date: 2010-07-07

Authors: Ertekin, Asli; B., Cooper; ., C.; ., .; ., .; 7, .; Gaetano, 8; Rossi, Paolo; ., Maglaqui; ., .; ., .; ., .; , .

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

Assembly members:
SR10, polymer, 151 residues, 17145.258 Da.

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

Experimental source:   Production method: recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . 'pET 14-15C

Entity Sequences (FASTA):
SR10: MAYNKEEKIKSLNRMQYEVT QNNGTEPPFQNEYWDHKEEG LYVDIVSGKPLFTSKDKFDS QCGWPSFTKPIEEEVEEKLD TSHGMIRTEVRSRTADSHLG HVFNDGPGPNGLRYCINSAA LRFVPKHKLKEEGYESYLHL FNKLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts456
1401H chemical shifts

Time Domain Data

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   MET.170085.GLU.1700811.
2   ASN.1700817.VAL.1700823.
3   THR.1700829.ASN.1700835.
4   LYS.1700841.VAL.1700847.
5   LYS.1700853.LYS.1700859.
6   GLN.1700865.PHE.1700871.
7   GLU.1700877.LEU.1700883.
8   MET.1700889.ARG.1700895.
9   SER.17008101.PHE.17008107.
10   PRO.17008113.CYS.17008119.
11   LEU.17008125.HIS.17008131.
12   GLY.17008137.HIS.17008143.
13   GLU.17008149.HIS

Samples:

SR10.026: SR10, [U-100% 13C; U-100% 15N; U-100% 2H], 0.8 mM; natural abundance; . %; . 17008; ., 100, 17008 – 6 protease inhibitor' 'natural abundance; . 7; ., mM, DSS; uM natural abundance; .; .

SR10.022: SR10, [U-5% 13C; U-100% 15N], 1.2 mM; natural abundance; . %; . 17008; ., 100, 17008 – 6 protease inhibitor' 'natural abundance; . 7; ., mM, DSS; uM natural abundance; .; .

SR10.022_2: SR10, [U-5% 13C; U-100% 15N], 1.2 mM; natural abundance; . %; . 17008; ., 200, 17008 – 6 protease inhibitor' 'natural abundance; . 7; ., mM, DSS; uM natural abundance; .; .

sample_conditions_1: pH: 6.5; 1: . 17008; .: K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCSR10.026isotropicsample_conditions_1
yessotropicnot availablenot available
not availablenot availablenot availablenot available
not availablenot available1not available
not availablenot available$sample_conditions_1not available
not availablesample_conditions_1not availablenot available
not availablenot availablenot availablenot available
not availablenot availablenot availablenot available
not availablenot availablenot availablenot available
not availablenot availablenot availablenot available
not availablenot availablenot availablenot available
not availablenot availablenot availablenot available
1not availablenot availablenot available
$SR10.026not availablenot availablenot available
isotropicnot availablenot availablenot available
not availablenot availablenot availablenot available

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - geometry optimization, 17008

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - geometry optimization, 17008

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

TOPSPIN, Bruker Biospin - collection

SPARKY, Goddard - data analysis, 17008

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
3E0O .
. methionine sulfoxide reductase B [Bacillus subtilis subsp. natto BEST195] . . . . 94.70 . . . 17008
methionine sulfoxide reductase B [Bacillus subtilis BEST7613] .
94.70 143
144 98.61
100.00 100.00
98.61 6.52e-99
1.11e-98 .
17008 20
21 no
no SP

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