BMRB Entry 26546

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

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26546

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry

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

Select model:

I am color blind

Download raw data. Direct link to this display. Help

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
OrgB, polymer, 33 residues, Formula weight is not available
Thioredoxin, polymer, 118 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
OrgB: GPRSLKNIPIPSPLSPVEGI LIKRKTLERYFSI
Thioredoxin: GPVDMVKQIESKTAFQEALD AAGDKLVVVDFSATWCGPCK MIKPFFHSLSEKYSNVIFLE VDVDDCQDVASECEVKCMPT FQFFKKGQKVGEFSGANKEK LEATINELVGGSLEVLFQ

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	432
15N chemical shifts	151
1H chemical shifts	151

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SpaO	1
2	OrgB	2
3	Thioredoxin	3

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

Entity 2, OrgB 33 residues - Formula weight is not available

1

GLY

PRO

ARG

SER

LEU

LYS

ASN

ILE

PRO

ILE

2

PRO

SER

PRO

LEU

SER

PRO

VAL

GLU

GLY

ILE

3

LEU

ILE

LYS

ARG

LYS

THR

LEU

GLU

ARG

TYR

4

PHE

SER

ILE

Entity 3, Thioredoxin 118 residues - Formula weight is not available

1

GLY

PRO

VAL

ASP

MET

VAL

LYS

GLN

ILE

GLU

2

SER

LYS

THR

ALA

PHE

GLN

GLU

ALA

LEU

ASP

3

ALA

GLY

ASP

LYS

LEU

VAL

ASP

4

PHE

SER

ALA

THR

TRP

CYS

GLY

PRO

CYS

LYS

5

MET

ILE

LYS

PRO

PHE

HIS

SER

LEU

SER

6

GLU

LYS

TYR

SER

ASN

VAL

ILE

PHE

LEU

GLU

7

VAL

ASP

VAL

ASP

CYS

GLN

ASP

VAL

ALA

8

SER

GLU

CYS

GLU

VAL

LYS

CYS

MET

PRO

THR

9

PHE

GLN

PHE

LYS

GLY

GLN

LYS

VAL

10

GLY

GLU

PHE

SER

GLY

ALA

ASN

LYS

GLU

LYS

11

LEU

GLU

ALA

THR

ILE

ASN

GLU

LEU

VAL

GLY

12

GLY

SER

LEU

GLU

VAL

LEU

PHE

GLN

Samples:

sample_1: SpaO, [U-13C; U-15N], 0.2 mM; OrgB 0.2 mM; Thioredoxin mM; Sodium Citrate 10 mM; sodium chloride 100 mM; DTT 2 mM

sample_condition_1: pH: 5.6; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_condition_1
3D HNCO	sample_1	isotropic	sample_condition_1
3D HNCACB	sample_1	isotropic	sample_condition_1
3D HNCA	sample_1	isotropic	sample_condition_1
3D CBCA(CO)NH	sample_1	isotropic	sample_condition_1
3D HNCA	sample_1	isotropic	sample_condition_1
3D HN(CO)CA	sample_1	isotropic	sample_condition_1
3D HN(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