BMRB Entry 19042

Name: Complete 1H, 13C, and 15N Chemical Shift Assignments for Burkholderia pseudomallei Frataxin like protein
Published: 2013-08-14

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PDB ID: 2mpe
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19042
MolProbity Validation Chart

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

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Title: Complete 1H, 13C, and 15N Chemical Shift Assignments for Burkholderia pseudomallei Frataxin like protein PubMed: 23616103

Deposition date: 2013-02-19 Original release date: 2013-08-14

Authors: Gaudesi, Davide; Musco, Giovanna; Quilici, Giacomo

Citation: Gaudesi, Davide; Quilici, Giacomo; Musco, Giovanna. "1H, 13C, and 15N backbone and side chain NMR resonance assignments of BPSL1050 from Burkholderia pseudomallei." Biomol. NMR Assignments 8, 181-184 (2014).

Assembly members:
Frataxin_like, polymer, 130 residues, 12240 Da.

Natural source: Common Name: Burkholderia pseudomallei Taxonomy ID: 28450 Superkingdom: Bacteria Kingdom: not available Genus/species: Burkholderia pseudomallei

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

Entity Sequences (FASTA):
Frataxin_like: GAMGMSPDTARRFDTEFAPR IARAIADLLNHRAHTDVVGY GGHGHPTQVRIVAPHAEHVR GYAHPLNLALTWNTDEIERL MEADGAARFERYLAALPRKL AAWENARGVDFGSRTQADAL VLLGGLDFEA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	365
15N chemical shifts	121
1H chemical shifts	852

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Frataxin like monomer	1

Entities:

Entity 1, Frataxin like monomer 130 residues - 12240 Da.

Residue 1-4 represent a non-native affinity tag residual sequence.

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

Samples:

not_labeled: Frataxin like; potassium phosphate, [U-100% 1H], 0.6 mM; potassium phosphate 20 mM; sodium chloride 150 mM; DTT 2 mM

15N_H2O: Frataxin like, [U-99% 15N], 0.7 mM; potassium phosphate 20 mM; sodium chloride 150 mM; DTT 2 mM

15N_13C: Frataxin like, [U-99% 13C; U-99% 15N], 0.7 mM; potassium phosphate 20 mM; sodium chloride 150 mM; DTT 2 mM

15N_D2O: Frataxin like, [U-99% 15N], 0.7 mM; potassium phosphate 20 mM; sodium chloride 150 mM; DTT 2 mM

15N_13C_D2O: Frataxin like, [U-99% 13C; U-99% 15N], 0.7 mM; potassium phosphate 20 mM; sodium chloride 150 mM; DTT 2 mM

not_labeled_D2O: Frataxin like, [U-100% 1H], 0.6 mM; potassium phosphate 20 mM; sodium chloride 150 mM; DTT 2 mM

sample_conditions_1: ionic strength: 150 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	not_labeled	isotropic	sample_conditions_1
2D 1H-1H NOESY	not_labeled	isotropic	sample_conditions_1
2D 1H-1H TOCSY	not_labeled_D2O	isotropic	sample_conditions_1
2D 1H-1H NOESY	not_labeled_D2O	isotropic	sample_conditions_1
2D 1H-15N HSQC	15N_H2O	isotropic	sample_conditions_1
2D 1H-15N HSQC	15N_D2O	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	15N_13C_D2O	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	15N_13C_D2O	isotropic	sample_conditions_1
3D CBCA(CO)NH	15N_13C	isotropic	sample_conditions_1
3D HNCACB	15N_13C	isotropic	sample_conditions_1
3D HNCA	15N_13C	isotropic	sample_conditions_1
3D H(CCO)NH	15N_13C	isotropic	sample_conditions_1
3D HNCO	15N_H2O	isotropic	sample_conditions_1
3D HNHA	15N_H2O	isotropic	sample_conditions_1
3D C(CO)NH	15N_13C_D2O	isotropic	sample_conditions_1
3D 1H-15N NOESY	15N_13C	isotropic	sample_conditions_1
3D 1H-13C NOESY	15N_13C_D2O	isotropic	sample_conditions_1
hbCBcgcdHD	15N_13C_D2O	isotropic	sample_conditions_1
3D HCCH-TOCSY	15N_13C_D2O	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

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

Analysis, CCPN - chemical shift assignment, collection, peak picking

NMR spectrometers:

Bruker Avance 600 MHz

UNP	Q63W39
PDB	2MPE
EMBL	CAH35046 CDU27687 CFB50711 CFD85665 CFD91967
GB	AAU48433 ABA47781 ABM50277 ABN00967 ABN84691
REF	WP_004192184 WP_004534344 WP_004550752 WP_004555425 WP_009919325

Biological Magnetic Resonance Data Bank