BMRB Entry 26598

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26598

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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 with an inhibitor
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:

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).
PubMed: 26272827

Assembly members:

Assembly members:
Pseudomonas_aeruginosa_DNA_gyrase_B, polymer, 229 residues, Formula weight is not available
6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid, non-polymer, 437.396 Da.

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

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

Data sets:
Data typeCount
13C chemical shifts636
15N chemical shifts218
1H chemical shifts218

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Pseudomonas aeruginosa DNA gyrase B1
2bis-pyridylurea inhibitor2

Entities:

Entity 1, Pseudomonas aeruginosa 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

Entity 2, bis-pyridylurea inhibitor - C18 H14 F3 N5 O3 S - 437.396 Da.

1   1YM

Samples:

sample_1: Pseudomonas aeruginosa DNA gyrase B, [U-13C; U-15N; U-2H], 0.8 mM; bis-pyridylurea inhibitor 1 mM; H2O 90%; D2O 10%; sodium phosphate 20 mM; KCl 80 mM; DTT 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 peaks
SPARKY: Backbone or all simulated peaks