BMRB Entry 31011

Title:
Solution NMR structure of hexahistidine tagged QseM (6H-QseM)
Deposition date:
2022-04-20
Original release date:
2023-02-21
Authors:
Hall, D.; Solomon, P.; Bond, C.; Ramsay, J.; Mackay, J.
Citation:

Citation: Hall, D.; Mackay, J.. "Solution NMR structure of hexahistidine tagged QseM (6H-QseM)"  To be published ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 94 residues, 10980.271 Da.

Natural source:

Natural source:   Common Name: Mesorhizobium japonicum R7A   Taxonomy ID: 935547   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Mesorhizobium japonicum

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Data typeCount
13C chemical shifts272
15N chemical shifts67
1H chemical shifts443

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 94 residues - 10980.271 Da.

1   METARGGLYSERHISHISHISHISHISHIS
2   GLYSERLYSARGLYSVALGLNASPGLUVAL
3   PROTRPSERASPSERLEUTHRALATYRASP
4   ASNGLUHISPHETHRILETYRMETARGLEU
5   LEUASPALASERALAASPASPALASERGLU
6   ASPGLUMETALAGLNLEUVALLEUGLYILE
7   ASPPROMETARGGLUPROGLUARGALAARG
8   METALAVALARGSERHISLEUASPARGALA
9   ASNTRPMETVALTHRTHRGLYTYRLYSGLU
10   LEUPHEALAARG

Samples:

sample_1: 6H-QseM, [U-13C; U-15N], 250 uM; sodium chloride 20 mM; sodium phosphate 10 mM

sample_conditions_1: ionic strength: 24 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
2D HBCBCGCDCEHEsample_1isotropicsample_conditions_1
2D HBCBCGCDHDsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

CYANA, Guntert P. Mumenthaler C. Wuthrich K. - refinement, structure calculation

CcpNmr Analysis, Vranken W.F. Boucher W. Stevens T.J. Fogh R.H. Pajon A. Llinas M. Ulrich E.L. Markley J.L. Ionides J. Laue E.D. - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AVANCE III 800 MHz

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