BMRB Entry 27960

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR27960

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Title:
NMR backbone and sidechain assignments of apo-pyoverdine PvdI, a siderophore from Pseudomonas aeruginosa
Deposition date:
2019-06-25
Original release date:
2020-09-17
Authors:
Wang, Xu; Kleerekoper, Quinn; Lai, Shujuan; Kirienko, Natalia
Citation:

Citation: Wang, Xu; Kleerekoper, Quinn; Revtovicha, Alexey; Kang, Donghoon; Kirienko, Natalia. "Identification and validation of a novel anti-virulent that binds to pyoverdine and inhibits its function"  Virulence 11, 1293-1309 (2020).
PubMed: 32962519

Assembly members:

Assembly members:
pyoverdine, polymer, 10 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source:   Production method: purified from the natural source   Host organism: Pseudomonas aeruginosa   Vector: N/A

Entity Sequences (FASTA):

Entity Sequences (FASTA):
pyoverdine: XXSRSXKXTT

Data sets:
Data typeCount
13C chemical shifts41
15N chemical shifts12
1H chemical shifts69

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1apo Pvd11

Entities:

Entity 1, apo Pvd1 10 residues - Formula weight is not available

1, succinate 2, chromophore 3, D-Ser 4, L-Arg 5, D-Ser 6, L-FoOHOrn 7, L-Lys 8, L-FoOHOrn 9, L-Thr 10, L-Thr.

1   SUCCHRDSNARGDSNFOHLYSFOHTHRTHR

Samples:

sample_1: pyoverdine, [U-100% 13C; U-100% 15N], 1.2 mM; DSS 20 uM; D2O, [U-99% 2H], 10%; potassium phosphate 25 mM

sample_conditions_1: ionic strength: 30 mM; pH: 5.8; pressure: 1 atm; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis, processing

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

NMRView, Johnson, One Moon Scientific - data analysis

TOPSPIN, Bruker Biospin - collection, data analysis

NMR spectrometers:

  • Bruker AMX 600 MHz

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