BMRB Entry 34082

Name: Solution structure of the B. subtilis anti-sigma-F factor, FIN
Published: 2017-06-15

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PDB ID: 5msl
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34082
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution structure of the B. subtilis anti-sigma-F factor, FIN PubMed: 28598017

Deposition date: 2017-01-05 Original release date: 2017-06-15

Authors: Martinez-Lumbreras, S.; Alfano, C.; Isaacson, R.

Citation: Wang Erickson, A.; Deighan, P.; Chen, S.; Barrasso, K.; Garcia, C.; Martinez-Lumbreras, S.; Alfano, C.; Krysztofinska, E.; Thapaliya, A.; Camp, A.; Isaacson, R.; Hochschild, A.; Losick, R.. "A Novel RNA Polymerase-binding Protein that interacts with a Sigma-Factor Docking Site." Mol. Microbiol. 105, 652-662 (2017).

Assembly members:
entity_1, polymer, 75 residues, 8686.572 Da.
entity_ZN, non-polymer, 65.409 Da.

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

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21

Entity Sequences (FASTA):
entity_1: QSMALHYYCRHCGVKVGSLE SSMVSTDSLGFQHLTNEERN DMISYKENGDVHVLTICEDC QEALDRNPHYHEYHT

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	272
15N chemical shifts	79
1H chemical shifts	443

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	entity_2	2

Entities:

Entity 1, entity_1 75 residues - 8686.572 Da.

1

GLN

SER

MET

ALA

LEU

HIS

TYR

CYS

ARG

2

HIS

CYS

GLY

VAL

LYS

VAL

GLY

SER

LEU

GLU

3

SER

MET

VAL

SER

THR

ASP

SER

LEU

GLY

4

PHE

GLN

HIS

LEU

THR

ASN

GLU

ARG

ASN

5

ASP

MET

ILE

SER

TYR

LYS

GLU

ASN

GLY

ASP

6

VAL

HIS

VAL

LEU

THR

ILE

CYS

GLU

ASP

CYS

7

GLN

GLU

ALA

LEU

ASP

ARG

ASN

PRO

HIS

TYR

8

HIS

GLU

TYR

HIS

THR

Entity 2, entity_2 - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: FIN 400 uM; TCEP 250 uM; potassium phosphate 10 mM; sodium chloride 150 mM

sample_2: FIN, [U-100% 13C; U-100% 15N], 450 uM; TCEP 250 uM; potassium phosphate 10 mM; sodium chloride 150 mM

sample_conditions_1: ionic strength: 166 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

ARIA, Linge, O'Donoghue and Nilges - refinement, structure calculation

Analysis, CCPN - chemical shift assignment

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

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

Bruker Avance 700 MHz

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