BMRB Entry 25566

Name: Backbone chemical shift assignments for oxidized peroxiredoxin Q from the plant pathogen Xanthomonas campestris
Published: 2015-05-08

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25566

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Backbone chemical shift assignments for oxidized peroxiredoxin Q from the plant pathogen Xanthomonas campestris PubMed: 26438558

Deposition date: 2015-04-08 Original release date: 2015-05-08

Authors: Buchko, Garry; Perkins, Arden; Karplus, P.

Citation: Buchko, Garry; Perkins, Arden; Parsonage, Derek; Poole, Leslie; Karplus, P.. "Backbone chemical shift assignments for Xanthomonas campestris peroxiredoxin Q in the reduced and oxidized states: a dramatic change in backbone dynamics" Biomol. NMR Assign. 10, 57-61 (2016).

Assembly members:
PrxQ, polymer, 160 residues, Formula weight is not available

Natural source: Common Name: g-proteobacteria Taxonomy ID: 339 Superkingdom: Bacteria Kingdom: not available Genus/species: Xanthomonas campestris

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

Entity Sequences (FASTA):
PrxQ: MTDAVLELPAATFDLPLSLS GGTQTTLRAHAGHWLVIYFY PKDSTPGCTTEGLDFNALLP EFDKAGAKILGVSRDSVKSH DNFCAKQGFAFPLVSDGDEA LCRAFDVIKEKNMYGKQVLG IERSTFLLSPEGQVVQAWRK VKVAGHADAVLAALKAHAKQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	189
15N chemical shifts	69
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	PrxQ	1

Entities:

Entity 1, PrxQ 160 residues - Formula weight is not available

1	MET	THR	ASP	ALA	VAL	LEU	GLU	LEU	PRO	ALA
2	ALA	THR	PHE	ASP	LEU	PRO	LEU	SER	LEU	SER
3	GLY	GLY	THR	GLN	THR	THR	LEU	ARG	ALA	HIS
4	ALA	GLY	HIS	TRP	LEU	VAL	ILE	TYR	PHE	TYR
5	PRO	LYS	ASP	SER	THR	PRO	GLY	CYS	THR	THR
6	GLU	GLY	LEU	ASP	PHE	ASN	ALA	LEU	LEU	PRO
7	GLU	PHE	ASP	LYS	ALA	GLY	ALA	LYS	ILE	LEU
8	GLY	VAL	SER	ARG	ASP	SER	VAL	LYS	SER	HIS
9	ASP	ASN	PHE	CYS	ALA	LYS	GLN	GLY	PHE	ALA
10	PHE	PRO	LEU	VAL	SER	ASP	GLY	ASP	GLU	ALA
11	LEU	CYS	ARG	ALA	PHE	ASP	VAL	ILE	LYS	GLU
12	LYS	ASN	MET	TYR	GLY	LYS	GLN	VAL	LEU	GLY
13	ILE	GLU	ARG	SER	THR	PHE	LEU	LEU	SER	PRO
14	GLU	GLY	GLN	VAL	VAL	GLN	ALA	TRP	ARG	LYS
15	VAL	LYS	VAL	ALA	GLY	HIS	ALA	ASP	ALA	VAL
16	LEU	ALA	ALA	LEU	LYS	ALA	HIS	ALA	LYS	GLN

Samples:

sample_1: PrxQ, [U-99% 13C; U-99% 15N], 1.0 ± 0.2 mM; sodium chloride 100 ± 4 mM; TRIS 20 ± 1 mM; H2O 93%; D2O 7%

sample_conditions_1: ionic strength: 0.120 M; pH: 7; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	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
HNN	sample_1	isotropic	sample_conditions_1

Software:

Felix v2007, Accelrys Software Inc. - processing

SPARKY v3.115, Goddard - data analysis

NMR spectrometers:

Agilent VNMRS 750 MHz
Agilent VNMRS 600 MHz
Agilent VNMRS 500 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts

1	MET	THR	ASP	ALA	VAL	LEU	GLU	LEU	PRO	ALA
2	ALA	THR	PHE	ASP	LEU	PRO	LEU	SER	LEU	SER
3	GLY	GLY	THR	GLN	THR	THR	LEU	ARG	ALA	HIS
4	ALA	GLY	HIS	TRP	LEU	VAL	ILE	TYR	PHE	TYR
5	PRO	LYS	ASP	SER	THR	PRO	GLY	CYS	THR	THR
6	GLU	GLY	LEU	ASP	PHE	ASN	ALA	LEU	LEU	PRO
7	GLU	PHE	ASP	LYS	ALA	GLY	ALA	LYS	ILE	LEU
8	GLY	VAL	SER	ARG	ASP	SER	VAL	LYS	SER	HIS
9	ASP	ASN	PHE	CYS	ALA	LYS	GLN	GLY	PHE	ALA
10	PHE	PRO	LEU	VAL	SER	ASP	GLY	ASP	GLU	ALA
11	LEU	CYS	ARG	ALA	PHE	ASP	VAL	ILE	LYS	GLU
12	LYS	ASN	MET	TYR	GLY	LYS	GLN	VAL	LEU	GLY
13	ILE	GLU	ARG	SER	THR	PHE	LEU	LEU	SER	PRO
14	GLU	GLY	GLN	VAL	VAL	GLN	ALA	TRP	ARG	LYS
15	VAL	LYS	VAL	ALA	GLY	HIS	ALA	ASP	ALA	VAL
16	LEU	ALA	ALA	LEU	LYS	ALA	HIS	ALA	LYS	GLN

1	MET	THR	ASP	ALA	VAL	LEU	GLU	LEU	PRO	ALA
2	ALA	THR	PHE	ASP	LEU	PRO	LEU	SER	LEU	SER
3	GLY	GLY	THR	GLN	THR	THR	LEU	ARG	ALA	HIS
4	ALA	GLY	HIS	TRP	LEU	VAL	ILE	TYR	PHE	TYR
5	PRO	LYS	ASP	SER	THR	PRO	GLY	CYS	THR	THR
6	GLU	GLY	LEU	ASP	PHE	ASN	ALA	LEU	LEU	PRO
7	GLU	PHE	ASP	LYS	ALA	GLY	ALA	LYS	ILE	LEU
8	GLY	VAL	SER	ARG	ASP	SER	VAL	LYS	SER	HIS
9	ASP	ASN	PHE	CYS	ALA	LYS	GLN	GLY	PHE	ALA
10	PHE	PRO	LEU	VAL	SER	ASP	GLY	ASP	GLU	ALA
11	LEU	CYS	ARG	ALA	PHE	ASP	VAL	ILE	LYS	GLU
12	LYS	ASN	MET	TYR	GLY	LYS	GLN	VAL	LEU	GLY
13	ILE	GLU	ARG	SER	THR	PHE	LEU	LEU	SER	PRO
14	GLU	GLY	GLN	VAL	VAL	GLN	ALA	TRP	ARG	LYS
15	VAL	LYS	VAL	ALA	GLY	HIS	ALA	ASP	ALA	VAL
16	LEU	ALA	ALA	LEU	LYS	ALA	HIS	ALA	LYS	GLN

1	MET	THR	ASP	ALA	VAL	LEU	GLU	LEU	PRO	ALA
2	ALA	THR	PHE	ASP	LEU	PRO	LEU	SER	LEU	SER
3	GLY	GLY	THR	GLN	THR	THR	LEU	ARG	ALA	HIS
4	ALA	GLY	HIS	TRP	LEU	VAL	ILE	TYR	PHE	TYR
5	PRO	LYS	ASP	SER	THR	PRO	GLY	CYS	THR	THR
6	GLU	GLY	LEU	ASP	PHE	ASN	ALA	LEU	LEU	PRO
7	GLU	PHE	ASP	LYS	ALA	GLY	ALA	LYS	ILE	LEU
8	GLY	VAL	SER	ARG	ASP	SER	VAL	LYS	SER	HIS
9	ASP	ASN	PHE	CYS	ALA	LYS	GLN	GLY	PHE	ALA
10	PHE	PRO	LEU	VAL	SER	ASP	GLY	ASP	GLU	ALA
11	LEU	CYS	ARG	ALA	PHE	ASP	VAL	ILE	LYS	GLU
12	LYS	ASN	MET	TYR	GLY	LYS	GLN	VAL	LEU	GLY
13	ILE	GLU	ARG	SER	THR	PHE	LEU	LEU	SER	PRO
14	GLU	GLY	GLN	VAL	VAL	GLN	ALA	TRP	ARG	LYS
15	VAL	LYS	VAL	ALA	GLY	HIS	ALA	ASP	ALA	VAL
16	LEU	ALA	ALA	LEU	LYS	ALA	HIS	ALA	LYS	GLN