BMRB Entry 18651

Name: 13C and 15N chemical shifts for Shigella Flexneri MxiH Type three secretion system needle subunit
Published: 2013-02-14

Click here to enlarge.

PDB ID: 2mme
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18651
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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:

13C and 15N chemical shifts for Shigella Flexneri MxiH Type three secretion system needle subunit

Deposition date:

2012-08-08

Original release date:

2013-02-14

Authors:

Demers, Jean-Philippe; Sgourakis, Nikolaos; Gupta, Rashmi; Loquet, Antoine; Giller, Karin; Riedel, Dietmar; Laube, Britta; Kolbe, Michael; Baker, David; Becker, Stefan; Lange, Adam

Citation:

Citation: Demers, Jean-Philippe; Sgourakis, Nikolaos; Gupta, Rashmi; Loquet, Antoine; Giller, Karin; Riedel, Dietmar; Laube, Britta; Kolbe, Michael; Baker, David; Becker, Stefan; Lange, Adam. "The Common Structural Architecture of Shigella flexneri and Salmonella typhimurium Type Three Secretion Needles" PLoS Pathog. 9, e1003245-e1003245 (2013).
PubMed: 23555258

Assembly members:

Assembly members:
MxiH, polymer, 85 residues, 9389.3 Da.

Natural source:

Natural source: Common Name: Shigella flexneri Taxonomy ID: 424719 Superkingdom: Bacteria Kingdom: not available Genus/species: Shigella flexneri

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET16b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MxiH: GHMSVTVPDKDWTLSSLSET FDDGTQTLQGQLTSALNALA ENPSNPQLLAEYQSKLSEYT LYRNAQSNTVKVIKDVDAAI IQNFR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	387
15N chemical shifts	100

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MxiH needle	1

Entities:

Entity 1, MxiH needle 85 residues - 9389.3 Da.

The sequence employed in this study is found in S. flexneri serotype 6. After protease cleavage of the N-terminal His tag, the released MxiH protein contains the non-native N-terminal residues glycine and histidine.

1

GLY

HIS

MET

SER

VAL

THR

VAL

PRO

ASP

LYS

2

ASP

TRP

THR

LEU

SER

LEU

SER

GLU

THR

3

PHE

ASP

GLY

THR

GLN

THR

LEU

GLN

GLY

4

GLN

LEU

THR

SER

ALA

LEU

ASN

ALA

LEU

ALA

5

GLU

ASN

PRO

SER

ASN

PRO

GLN

LEU

ALA

6

GLU

TYR

GLN

SER

LYS

LEU

SER

GLU

TYR

THR

7

LEU

TYR

ARG

ASN

ALA

GLN

SER

ASN

THR

VAL

8

LYS

VAL

ILE

LYS

ASP

VAL

ASP

ALA

ILE

9

ILE

GLN

ASN

PHE

ARG

Samples:

sample_1: MxiH, [U-100% 13C; U-100% 15N], 20 mg

sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 278 K

Experiments:

Name	Sample	Sample state	Sample conditions
13C-13C (PDSD)	sample_1	solid	sample_conditions_1
15N-13C (Specific-CP)	sample_1	solid	sample_conditions_1

Software:

SPARKY, Goddard - data analysis

NMR spectrometers:

Bruker Avance 850 MHz

UNP	Q6XVY0_SHIFL
PDB	2MME
GB	AAP79000 ACD06130 KHQ70608 KIZ60406
REF	WP_012421721 WP_032324888 WP_039064401 WP_046891853 WP_047204460
AlphaFold	Q6XVY0