BMRB Entry 17534

Name: NMR resonance assignment of the autoimmunity protein SpaI from Bacillus subtilis ATCC 6633
Published: 2012-05-10

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PDB ID: 2lvl
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17534
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR resonance assignment of the autoimmunity protein SpaI from Bacillus subtilis ATCC 6633

Deposition date:

2011-03-18

Original release date:

2012-05-10

Authors:

Christ, Nina Alexandra; Duchardt-Ferner, Elke; Duesterhus, Stefanie; Koetter, Peter; Entian, Karl-Dieter; Woehnert, Jens

Citation:

Citation: Christ, Nina Alexandra; Duchardt-Ferner, Elke; Dusterhus, Stefanie; Kotter, Peter; Entian, Karl-Dieter; Wohnert, Jens. "NMR resonance assignment of the autoimmunity protein SpaI from Bacillus subtilis ATCC 6633." Biomol. NMR Assignments 6, 9-13 (2012).
PubMed: 21643970

Assembly members:

Assembly members:
SpaI, polymer, 128 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Bacillus subtilis Taxonomy ID: 1423 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus subtilis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pPK571

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SpaI: GSTMHFTDDNENDTSETMES LIDKGKLDQVVYDDQLYHLK EKVDEDKKGKVIGAIGQTFF VDGDGKRWSEEELKEPYISN NPDEIREKKPLRYGKVYSTN EDSDAKDEIIVEFNREYYRA VLIKNEKE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	564
15N chemical shifts	137
1H chemical shifts	893

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SpaI monomer	1

Entities:

Entity 1, SpaI monomer 128 residues - Formula weight is not available

1

GLY

SER

THR

MET

HIS

PHE

THR

ASP

ASN

2

GLU

ASN

ASP

THR

SER

GLU

THR

MET

GLU

SER

3

LEU

ILE

ASP

LYS

GLY

LYS

LEU

ASP

GLN

VAL

4

VAL

TYR

ASP

GLN

LEU

TYR

HIS

LEU

LYS

5

GLU

LYS

VAL

ASP

GLU

ASP

LYS

GLY

LYS

6

VAL

ILE

GLY

ALA

ILE

GLY

GLN

THR

PHE

7

VAL

ASP

GLY

ASP

GLY

LYS

ARG

TRP

SER

GLU

8

GLU

LEU

LYS

GLU

PRO

TYR

ILE

SER

ASN

9

ASN

PRO

ASP

GLU

ILE

ARG

GLU

LYS

PRO

10

LEU

ARG

TYR

GLY

LYS

VAL

TYR

SER

THR

ASN

11

GLU

ASP

SER

ASP

ALA

LYS

ASP

GLU

ILE

12

VAL

GLU

PHE

ASN

ARG

GLU

TYR

ARG

ALA

13

VAL

LEU

ILE

LYS

ASN

GLU

LYS

GLU

Samples:

15N: sodium phosphate 50 mM; sodium chloride 100 mM; DSS 10 uM; SpaI, [U-15N], 300 – 400 uM; H2O 90%; D2O 10%

2H15N13C: sodium phosphate 50 mM; sodium chloride 100 mM; DSS 10 uM; SpaI, [U-13C; U-15N; U-2H], 420 uM; H2O 90%; D2O 10%

15N13C: sodium phosphate 50 mM; sodium chloride 100 mM; DSS 10 uM; SpaI, [U-13C; U-15N], 300 – 400 uM; H2O 90%; D2O 10%

15N13C_D2O: sodium phosphate 50 mM; sodium chloride 100 mM; DSS 10 uM; SpaI, [U-13C; U-15N], 300 uM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 100 mM; pH: 6.4; pressure: 1 atm; temperature: 296 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	15N	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	15N13C_D2O	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	15N13C	isotropic	sample_conditions_1
3D CBCA(CO)NH	15N13C	isotropic	sample_conditions_1
3D HNCO	2H15N13C	isotropic	sample_conditions_1
3D HNCA	2H15N13C	isotropic	sample_conditions_1
3D HNCACB	2H15N13C	isotropic	sample_conditions_1
3D HBHA(CO)NH	15N13C	isotropic	sample_conditions_1
3D H(CCO)NH	15N13C	isotropic	sample_conditions_1
3D C(CO)NH	15N13C	isotropic	sample_conditions_1
3D HCCH-TOCSY	15N13C_D2O	isotropic	sample_conditions_1
3D HCCH-COSY	15N13C_D2O	isotropic	sample_conditions_1
3D HNHA	15N	isotropic	sample_conditions_1
3D 1H-15N NOESY	15N	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	15N13C	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	15N13C_D2O	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	15N13C	isotropic	sample_conditions_1
3D HNCACO	2H15N13C	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CCPN_Analysis, CCPN - chemical shift assignment, data analysis

CARA, Keller and Wuthrich - chemical shift assignment, data analysis

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 700 MHz
Bruker Avance 800 MHz
Bruker Avance 950 MHz
Bruker Avance 900 MHz

PDB	2LVL
GB	AAB91598 ADM39343 AJD37803 AJW87462 EFG93306
REF	WP_003220043 WP_041905979 WP_044445585 WP_045385074