BMRB Entry 51902

Title:
Backbone and side chain chemical shift assignments of purS subunit of phosphoribosylformylglycinamidine synthase enzyme from S. aureus
Deposition date:
2023-04-11
Original release date:
2023-04-13
Authors:
Wahab, Atia-tul-; Ashraf, Faryal; Choudhary, M. Iqbal
Citation:

Citation: Wahab, Atia-tul-; Ashraf, Faryal; Choudhary, M. Iqbal. "Solution NMR structure and functional annotation of purS subunit of phosphoribosylformylglycinamidine synthase enzyme from S.aureus"  .

Assembly members:

Assembly members:
entity_1, polymer, 89 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Staphylococcus aureus   Taxonomy ID: 1280   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Staphylococcus aureus

Experimental source:

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

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts393
15N chemical shifts88
1H chemical shifts643

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1subunit PurS1

Entities:

Entity 1, subunit PurS 89 residues - Formula weight is not available

1   ALAGLYMETLYSTHRILEGLULEUHISILE
2   THRLEUGLNPROGLNVALLEUASPTHRGLN
3   GLYGLNTHRLEUTHRARGALAVALHISASP
4   LEUGLYTYRALAGLNVALASNASPILEARG
5   VALGLYLYSVALLEUTYRMETTHRVALASP
6   GLUVALSERASPGLULYSVALHISASNILE
7   ILETHRTHRLEUSERGLULYSLEUPHEALA
8   ASNTHRVALILEGLUGLUTYRSERTYRLYS
9   VALLEUASPASPGLULYSGLUASNALA

Samples:

sample_1: PurS-PRFGS, [U-13C; U-15N], 1.2 mM; sodium phosphate 20 mM; sodium chloride 20 mM; DSS 0.15 mM; sodium azide 0.03%

sample_conditions_1: pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.6 - collection

CYANA v3.92.15 - structure solution

CARA - chemical shift assignment, data analysis

TALOS+ - refinement

SPARKY - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker AVANCE III 800 MHz MHz

Related Database Links:

NCBI WP_000848350.1

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