BMRB Entry 27960

Name: NMR backbone and sidechain assignments of apo-pyoverdine PvdI, a siderophore from Pseudomonas aeruginosa
Published: 2020-09-17

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

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR backbone and sidechain assignments of apo-pyoverdine PvdI, a siderophore from Pseudomonas aeruginosa PubMed: 32962519

Deposition date: 2019-06-25 Original release date: 2020-09-17

Authors: Wang, Xu; Kleerekoper, Quinn; Lai, Shujuan; Kirienko, Natalia

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).

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

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

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

Entity Sequences (FASTA):
pyoverdine: XXSRSXKXTT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	41
15N chemical shifts	12
1H chemical shifts	69

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	apo Pvd1	1

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

SUC

CHR

DSN

ARG

DSN

FOH

LYS

FOH

THR

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:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D CCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_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 shifts
SPARKY: Backbone or all simulated shifts