BMRB Entry 26543

Name: Type III Secretion Protein
Published: 2015-05-22

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26543

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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: Type III Secretion Protein PubMed: 25994170

Deposition date: 2015-03-20 Original release date: 2015-05-22

Authors: Notti, Ryan; Bhattacharya, Shibani; Stebbins, Charles

Citation: Notti, Ryan; Bhattacharya, Shibani; Lilic, Mirjana; Stebbins, Charles. "A common assembly module in injectisome and flagellar type III secretion sorting platforms" Nat. Commun. 6, 7125-7125 (2015).

Assembly members:
SpaO, polymer, 162 residues, Formula weight is not available

Natural source: Common Name: Salmonella enterica Taxonomy ID: 28901 Superkingdom: Bacteria Kingdom: not available Genus/species: Salmonella enterica

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

Entity Sequences (FASTA):
SpaO: GPVDVGGGRPKMLRWPLRFV IGSSDTQRSLLGRIGIGDVL LIRTSRAEVYCYAKKLGHFN RVEGGIIVETLDIQHIEEEN NTTETAETLPGLNQLPVKLE FVLYRKNVTLAELEAMGQQQ LLSLPTNAELNVEIMANGVL LGNGELVQMNDTLGVEIHEW LS

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	446
15N chemical shifts	150
1H chemical shifts	150

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SpaO	1

Entities:

Entity 1, SpaO 162 residues - Formula weight is not available

1

GLY

PRO

VAL

ASP

VAL

GLY

ARG

PRO

2

LYS

MET

LEU

ARG

TRP

PRO

LEU

ARG

PHE

VAL

3

ILE

GLY

SER

ASP

THR

GLN

ARG

SER

LEU

4

LEU

GLY

ARG

ILE

GLY

ILE

GLY

ASP

VAL

LEU

5

LEU

ILE

ARG

THR

SER

ARG

ALA

GLU

VAL

TYR

6

CYS

TYR

ALA

LYS

LEU

GLY

HIS

PHE

ASN

7

ARG

VAL

GLU

GLY

ILE

VAL

GLU

THR

8

LEU

ASP

ILE

GLN

HIS

ILE

GLU

ASN

9

ASN

THR

GLU

THR

ALA

GLU

THR

LEU

PRO

10

GLY

LEU

ASN

GLN

LEU

PRO

VAL

LYS

LEU

GLU

11

PHE

VAL

LEU

TYR

ARG

LYS

ASN

VAL

THR

LEU

12

ALA

GLU

LEU

GLU

ALA

MET

GLY

GLN

13

LEU

SER

LEU

PRO

THR

ASN

ALA

GLU

LEU

14

ASN

VAL

GLU

ILE

MET

ALA

ASN

GLY

VAL

LEU

15

LEU

GLY

ASN

GLY

GLU

LEU

VAL

GLN

MET

ASN

16

ASP

THR

LEU

GLY

VAL

GLU

ILE

HIS

GLU

TRP

17

LEU

SER

Samples:

sample_1: SpaO, [U-13C; U-15N; U-2H], 0.3 mM; Sodium Citrate 10 mM; sodium chloride 100 mM; DTT 1 mM

sample_condition_1: pH: 5.6; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 15N TROSY	sample_1	isotropic	sample_condition_1
3D trHNCACB	sample_1	isotropic	sample_condition_1
3D trHN(CO)CACB	sample_1	isotropic	sample_condition_1
3D trHNCO	sample_1	isotropic	sample_condition_1
3D trHNCA	sample_1	isotropic	sample_condition_1
3D trHN(CO)CA	sample_1	isotropic	sample_condition_1
3D trHN(CA)CO	sample_1	isotropic	sample_condition_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

CARA v1.5, Keller and Wuthrich - data analysis

NMR spectrometers:

Bruker Avance 900 MHz
Bruker Avance 800 MHz
Bruker Avance 600 MHz

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