BMRB Entry 5899

Name: NMR Solution Structure of BeF3-Activated Spo0F, 20 conformers
Published: 2003-10-06

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PDB ID: 1pux
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5899
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR Solution Structure of BeF3-Activated Spo0F, 20 conformers

Deposition date:

2003-08-07

Original release date:

2003-10-06

Authors:

Gardino, A.; Volkman, B.; Cho, H.; Lee, S.; Wemmer, D.; Kern, D.

Citation:

Citation: Gardino, A.; Volkman, B.; Cho, H.; Lee, S.; Wemmer, D.; Kern, D.. "The NMR Solution Structure of BeF(3)(-)-activated Spo0F Reveals the Conformational Switch in a Phosphorelay System" J. Mol. Biol. 331, 245-254 (2003).
PubMed: 12875849

Assembly members:

Assembly members:
Sporulation initiation phosphotransferase F, polymer, 124 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Bacillus globigii 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: PET21A

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Sporulation initiation phosphotransferase F: MMNEKILIVDDQYGIRILLN EVFNKEGYQTFQAANGLQAL DIVTKERPDLVLLDMKIPGM DGIEILKRMKVIDENIRVII MTAYGELDMIQESKELGALT HFAKPFDIDEIRDAVKKYLP LKSN

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
1H chemical shifts	826
13C chemical shifts	413
15N chemical shifts	131

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Neurotoxin BmK37	1

Entities:

Entity 1, Neurotoxin BmK37 124 residues - Formula weight is not available

1

MET

ASN

GLU

LYS

ILE

LEU

ILE

VAL

ASP

2

ASP

GLN

TYR

GLY

ILE

ARG

ILE

LEU

ASN

3

GLU

VAL

PHE

ASN

LYS

GLU

GLY

TYR

GLN

THR

4

PHE

GLN

ALA

ASN

GLY

LEU

GLN

ALA

LEU

5

ASP

ILE

VAL

THR

LYS

GLU

ARG

PRO

ASP

LEU

6

VAL

LEU

ASP

MET

LYS

ILE

PRO

GLY

MET

7

ASP

GLY

ILE

GLU

ILE

LEU

LYS

ARG

MET

LYS

8

VAL

ILE

ASP

GLU

ASN

ILE

ARG

VAL

ILE

9

MET

THR

ALA

TYR

GLY

GLU

LEU

ASP

MET

ILE

10

GLN

GLU

SER

LYS

GLU

LEU

GLY

ALA

LEU

THR

11

HIS

PHE

ALA

LYS

PRO

PHE

ASP

ILE

ASP

GLU

12

ILE

ARG

ASP

ALA

VAL

LYS

TYR

LEU

PRO

13

LEU

LYS

SER

ASN

Samples:

sample_1: Sporulation initiation phosphotransferase F, [U-15N; U-13C], 1 mM; HEPES 20 mM; MgCl2 50 mM; BeCl2 6 mM; NaF 60 mM; D2O 10%; H2O 90%

sample_cond_1: pH: 6.85 na; temperature: 298 K; ionic strength: 116 mM; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
3D 13C-separated NOESY	not available	not available	not available
3D 15N-separated NOESY	not available	not available	not available

Software:

DYANA v1.5 - structure solution, refinement

XEASY v1.3.12 - data analysis

NMR spectrometers:

Bruker DMX 500 MHz
Bruker DMX 600 MHz
Bruker DMX 750 MHz

BMRB	15008 15009 15010 15011
PDB	1F51 1FSP 1NAT 1PEY 1PUX 1SRR 2FSP 2FTK 2JVI 2JVJ 2JVK 3Q15
DBJ	BAI87374 BAM55796 BAM59808 GAK81027
EMBL	CAA27217 CAA89872 CAB15730 CCU60811 CEI59521
GB	AAA16802 AAA22787 ADM39703 ADP34224 ADV94523
PRF	1306301A
REF	NP_391594 WP_003221952 WP_003227621 WP_003326524 WP_010328945
SP	P06628
AlphaFold	P06628