BMRB Entry 26690

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26690

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Title:
Backbone and sidechain 1H, 13C, and 15N resonance assignments for Methylobacterium extorquens PqqD + PqqA
Deposition date:
2015-10-14
Original release date:
2016-10-04
Authors:
Evans, Robert; Xia, Youlin; Latham, John; Barr, Robert; Klinman, Judith; Wilmot, Carrie
Citation:

Citation: Evans, Robert; Xia, Youlin; Latham, John; Barr, Robert; Klinman, Judith; Wilmot, Carrie. "(1)H, (13)C, and (15)N resonance assignments and secondary structure information for Methylobacterium extorquens PqqD and the complex of PqqD with PqqA"  Biomol. NMR Assign. 10, 385-389 (2016).
PubMed: 27638737

Assembly members:

Assembly members:
PqqD, polymer, 94 residues, Formula weight is not available
PqqA, polymer, 28 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Methylobacterium extorquens   Taxonomy ID: 408   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Methylobacterium extorquens

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PqqD: MEPTAFSGSDVPRLPRGVRL RFDEVRNKHVLLAPERTFDL DDNAVAVLKLVDGRNTVSQI AQILGQTYDADPAIIEADIL PMLAGLAQKRVLER
PqqA: KWAAPIVSEISVGMEVTSYE SAEIDTFN

Data sets:
Data typeCount
13C chemical shifts408
15N chemical shifts88
1H chemical shifts658

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PqqD1
2PqqA2

Entities:

Entity 1, PqqD 94 residues - Formula weight is not available

1   METGLUPROTHRALAPHESERGLYSERASP
2   VALPROARGLEUPROARGGLYVALARGLEU
3   ARGPHEASPGLUVALARGASNLYSHISVAL
4   LEULEUALAPROGLUARGTHRPHEASPLEU
5   ASPASPASNALAVALALAVALLEULYSLEU
6   VALASPGLYARGASNTHRVALSERGLNILE
7   ALAGLNILELEUGLYGLNTHRTYRASPALA
8   ASPPROALAILEILEGLUALAASPILELEU
9   PROMETLEUALAGLYLEUALAGLNLYSARG
10   VALLEUGLUARG

Entity 2, PqqA 28 residues - Formula weight is not available

1   LYSTRPALAALAPROILEVALSERGLUILE
2   SERVALGLYMETGLUVALTHRSERTYRGLU
3   SERALAGLUILEASPTHRPHEASN

Samples:

sample_1: PqqD, [U-100% 13C; U-100% 15N], 0.4 mM; D2O, [U-100% 2H], 10%; H2O 89%; Potassium phosphate 0.1 mM; Sodium azide 1 mM; PqqA 0.4 mM

sample_conditions_1: ionic strength: 0.1 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 CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
2D plane of 3D HCACOsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
2D HBCBCGCDHDsample_1isotropicsample_conditions_1
2D HBCBCGCDCEHEsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D plane of HCCH-TOCSY for aromatic ringsample_1isotropicsample_conditions_1

Software:

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

SPARKY, Goddard - chemical shift assignment, peak picking

CSI v2.0, Wishart - data analysis

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

  • Bruker Avance 900 MHz
  • Bruker Avance 850 MHz

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