BMRB Entry 34234

Name: E.coli Sigma factor S (RpoS) Region 4
Published: 2018-06-01

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PDB ID: 6fi7
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34234
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: E.coli Sigma factor S (RpoS) Region 4 PubMed: 29789383

Deposition date: 2018-01-17 Original release date: 2018-06-01

Authors: Liu, B.; Matthews, S.

Citation: Tabib-Salazar, A.; Liu, B.; Barker, D.; Burchell, L.; Qimron, U.; Matthews, S.; Wigneshweraraj, S.. "T7 phage factor required for managing RpoS inEscherichia coli." Proc. Natl. Acad. Sci. U.S.A. 115, E5353-E5362 (2018).

Assembly members:
entity_1, polymer, 86 residues, 10041.383 Da.

Natural source: Common Name: E. coli Taxonomy ID: 83333 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

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

Entity Sequences (FASTA):
entity_1: GPEDTTQDDDMKQSIVKWLF ELNAKQREVLARRFGLLGYE AATLEDVGREIGLTRERVRQ IQVEGLRRLREILQTQGLNI EALFRE

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	390
15N chemical shifts	96
1H chemical shifts	647

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 86 residues - 10041.383 Da.

1

GLY

PRO

GLU

ASP

THR

GLN

ASP

2

MET

LYS

GLN

SER

ILE

VAL

LYS

TRP

LEU

PHE

3

GLU

LEU

ASN

ALA

LYS

GLN

ARG

GLU

VAL

LEU

4

ALA

ARG

PHE

GLY

LEU

GLY

TYR

GLU

5

ALA

THR

LEU

GLU

ASP

VAL

GLY

ARG

GLU

6

ILE

GLY

LEU

THR

ARG

GLU

ARG

VAL

ARG

GLN

7

ILE

GLN

VAL

GLU

GLY

LEU

ARG

LEU

ARG

8

GLU

ILE

LEU

GLN

THR

GLN

GLY

LEU

ASN

ILE

9

GLU

ALA

LEU

PHE

ARG

GLU

Samples:

sample_1: E.coli Sigma factor S region 4, [U-99% 13C; U-99% 15N], 1 ± 0.1 mM

sample_conditions_1: ionic strength: 350 mM; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

CNS, Brunger A. T. et.al. - refinement

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

NMR spectrometers:

Bruker Advance HD III 600 MHz
Bruker Advance HD III 800 MHz

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