BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

BMRB Entry 26597

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26597

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Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for the N-terminal active domain of the gyrase B subunit of Pseudomonas aeruginosa   PubMed: 26272827

Deposition date: 2015-07-05 Original release date: 2016-07-15

Authors: Li, Yan; Wong, Ying Lei; Lee, Michelle Yueqi; Ng, Hui Qi; Kang, CongBao

Citation: Li, Yan; Wong, Yun Xuan; Poh, Zhi Ying; Wong, Ying Lei; Lee, Michelle Yueqi; Ng, Hui Qi; Liu, Boping; Hung, Alvin; Cherian, Joseph; Hill, Jeffrey; Keller, Thomas H; Kang, CongBao. "NMR structural characterization of the N-terminal active domain of the gyrase B subunit from Pseudomonas aeruginosa and its complex with an inhibitor"  FEBS Lett. 589, 2683-2689 (2015).

Assembly members:
Pseudomonas_aeruginosa_DNA_gyrase_B_subunit, polymer, 229 residues, Formula weight is not available

Natural source:   Common Name: g-proteobacteria   Taxonomy ID: 287   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Pseudomonas aeruginosa

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET29b

Entity Sequences (FASTA):
Pseudomonas_aeruginosa_DNA_gyrase_B_subunit: MSENNTYDSSSIKVLKGLDA VRKRPGMYIGDTDDGTGLHH MVFEVVDNSIDEALAGYCSE ISITIHTDESITVRDNGRGI PVDIHKEEGVSAAEVIMTVL HAGGKFDVNTYKVSGGLHGV GVSVVNALSHELRLTIRRHN KVWEQVYHHGVPQFPLREVG ETDGSGTEVHFKPSPETFSN IHFSWDILAKRIRELSFLNS GVGILLRDERTGKEELFKYE GGLEHHHHH

Data sets:
Data typeCount
13C chemical shifts629
15N chemical shifts218
1H chemical shifts218

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1DNA gyrase B1

Entities:

Entity 1, DNA gyrase B 229 residues - Formula weight is not available

1   METSERGLUASNASNTHRTYRASPSERSER
2   SERILELYSVALLEULYSGLYLEUASPALA
3   VALARGLYSARGPROGLYMETTYRILEGLY
4   ASPTHRASPASPGLYTHRGLYLEUHISHIS
5   METVALPHEGLUVALVALASPASNSERILE
6   ASPGLUALALEUALAGLYTYRCYSSERGLU
7   ILESERILETHRILEHISTHRASPGLUSER
8   ILETHRVALARGASPASNGLYARGGLYILE
9   PROVALASPILEHISLYSGLUGLUGLYVAL
10   SERALAALAGLUVALILEMETTHRVALLEU
11   HISALAGLYGLYLYSPHEASPVALASNTHR
12   TYRLYSVALSERGLYGLYLEUHISGLYVAL
13   GLYVALSERVALVALASNALALEUSERHIS
14   GLULEUARGLEUTHRILEARGARGHISASN
15   LYSVALTRPGLUGLNVALTYRHISHISGLY
16   VALPROGLNPHEPROLEUARGGLUVALGLY
17   GLUTHRASPGLYSERGLYTHRGLUVALHIS
18   PHELYSPROSERPROGLUTHRPHESERASN
19   ILEHISPHESERTRPASPILELEUALALYS
20   ARGILEARGGLULEUSERPHELEUASNSER
21   GLYVALGLYILELEULEUARGASPGLUARG
22   THRGLYLYSGLUGLULEUPHELYSTYRGLU
23   GLYGLYLEUGLUHISHISHISHISHIS

Samples:

sample_1: Pseudomonas aeruginosa DNA gyrase B subunit, [U-13C; U-15N; U-2H], 0.8 mM; H2O 90%; D2O 10%; sodium phosphate 20 mM; KCl 80 mM; DDT 2 mM; EDTA 0.5 mM

sample_conditions_1: ionic strength: 80 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

X-PLOR, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment, processing

NMR spectrometers:

  • Bruker Avance 700 MHz

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