BMRB Entry 25025

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25025

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Title:
Conformational Plasticity Surrounding the Active Site of NADH Oxidase from Thermus thermophilus
Deposition date:
2014-06-17
Original release date:
2019-07-11
Authors:
Mittermaier, Anthony; Miletti, Teresa; Levros, Louis-Charles; Di Trani, Justin
Citation:

Citation: Miletti, Teresa; Di Trani, Justin; Levros, Louis-Charles; Mittermaier, Anthony. "Conformational plasticity surrounding the active site of NADH oxidase from Thermus thermophilus"  Protein Sci. 24, 1114-1128 (2015).
PubMed: 25970557

Assembly members:

Assembly members:
NOX, polymer, 205 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Bacteria   Taxonomy ID: 274   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Thermus thermophilus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
NOX: MEATLPVLDAKTAALKRRSI RRYRKDPVPEGLLREILEAA LRAPSAWNLQPWRIVVVRDP ATKRALREAAFGQAHVEEAP VVLVLYADLEDALAHLDEVI HPGVQGERREAQKQAIQRAF AAMGQEARKAWASGQSYILL GYLLLLLEAYGLGSVPMLGF DPERVRAILGLPSRAAIPAL VALGYPAEEGYPSHRLPLER VVLWR

Data typeCount
13C chemical shifts464
15N chemical shifts165
1H chemical shifts165
T1 relaxation values426
T2 relaxation values426
heteronuclear NOE values328
order parameters216

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1NOX, 11
2NOX, 21

Entities:

Entity 1, NOX, 1 205 residues - Formula weight is not available

1   METGLUALATHRLEUPROVALLEUASPALA
2   LYSTHRALAALALEULYSARGARGSERILE
3   ARGARGTYRARGLYSASPPROVALPROGLU
4   GLYLEULEUARGGLUILELEUGLUALAALA
5   LEUARGALAPROSERALATRPASNLEUGLN
6   PROTRPARGILEVALVALVALARGASPPRO
7   ALATHRLYSARGALALEUARGGLUALAALA
8   PHEGLYGLNALAHISVALGLUGLUALAPRO
9   VALVALLEUVALLEUTYRALAASPLEUGLU
10   ASPALALEUALAHISLEUASPGLUVALILE
11   HISPROGLYVALGLNGLYGLUARGARGGLU
12   ALAGLNLYSGLNALAILEGLNARGALAPHE
13   ALAALAMETGLYGLNGLUALAARGLYSALA
14   TRPALASERGLYGLNSERTYRILELEULEU
15   GLYTYRLEULEULEULEULEUGLUALATYR
16   GLYLEUGLYSERVALPROMETLEUGLYPHE
17   ASPPROGLUARGVALARGALAILELEUGLY
18   LEUPROSERARGALAALAILEPROALALEU
19   VALALALEUGLYTYRPROALAGLUGLUGLY
20   TYRPROSERHISARGLEUPROLEUGLUARG
21   VALVALLEUTRPARG

Samples:

15N_no_urea: NOX, [U-100% 15N], 1 mM; H2O 90%; D2O 10%

15N13C_no_urea: NOX, [U-100% 13C; U-100% 15N], 1 mM; H2O 90%; D2O 10%

15N_urea: NOX, [U-100% 15N], 1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.05 M; pH: 7.2; pressure: 1 atm; temperature: 323 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACB15N13C_no_ureaisotropicsample_conditions_1
3D HNCO15N13C_no_ureaisotropicsample_conditions_1
3D HNCA15N13C_no_ureaisotropicsample_conditions_1
3D HN(CO)CA15N13C_no_ureaisotropicsample_conditions_1
3D HCACO15N13C_no_ureaisotropicsample_conditions_1
3D CBCA(CO)NH15N13C_no_ureaisotropicsample_conditions_1
3D 1H-15N NOESY15N13C_no_ureaisotropicsample_conditions_1
{1H}NOE15N_no_ureaisotropicsample_conditions_1
R1rho15N_no_ureaisotropicsample_conditions_1
R115N_no_ureaisotropicsample_conditions_1
{1H}NOE15N_no_ureaisotropicsample_conditions_1
R1rho15N_no_ureaisotropicsample_conditions_1
R115N_no_ureaisotropicsample_conditions_1
R1rho15N_ureaisotropicsample_conditions_1
R115N_ureaisotropicsample_conditions_1
{1H}NOE15N_ureaisotropicsample_conditions_1
R1rho15N_ureaisotropicsample_conditions_1
R115N_ureaisotropicsample_conditions_1

Software:

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

NMR spectrometers:

  • Varian INOVA 500 MHz
  • Varian INOVA 800 MHz

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