BMRB Entry 17777

Name: Solution structure of the N-terminal domain of the Shigella type III secretion protein MxiG
Published: 2011-08-03

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR17777

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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:

Solution structure of the N-terminal domain of the Shigella type III secretion protein MxiG

Deposition date:

2011-07-11

Original release date:

2011-08-03

Authors:

McDowell, Melanie; Johnson, S.; Deane, J.; Mcdonnell, J.; Lea, S.

Citation:

Citation: McDowell, Melanie; Johnson, Steven; Deane, Janet; Cheung, Martin; Roehrich, A. Dorothea; Blocker, Ariel; McDonnell, James; Lea, Susan. "Structural and functional studies on the N-terminal domain of the Shigella type III secretion protein MxiG." J. Biol. Chem. 286, 30606-30614 (2011).
PubMed: 21733840

Assembly members:

Assembly members:
PROTEIN_MXIG, polymer, 107 residues, 12147.3457 Da.

Natural source:

Natural source: Common Name: Shigella flexneri Taxonomy ID: 623 Superkingdom: Bacteria Kingdom: not available Genus/species: Shigella flexneri

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET14b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PROTEIN_MXIG: NSNLAPFRLLVKLTNGVGDE FPLYYGNNLIVLGRTIETLE FGNDNFPENIIPVTDSKSDG IIYLTISKDNICQFSDEKGE QIDINSQFNSFEYDGISFHL KNMREDK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	148
15N chemical shifts	98
1H chemical shifts	588

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PROTEIN MXIG	1

Entities:

Entity 1, PROTEIN MXIG 107 residues - 12147.3457 Da.

1

ASN

SER

ASN

LEU

ALA

PRO

PHE

ARG

LEU

2

VAL

LYS

LEU

THR

ASN

GLY

VAL

GLY

ASP

GLU

3

PHE

PRO

LEU

TYR

GLY

ASN

LEU

ILE

4

VAL

LEU

GLY

ARG

THR

ILE

GLU

THR

LEU

GLU

5

PHE

GLY

ASN

ASP

ASN

PHE

PRO

GLU

ASN

ILE

6

ILE

PRO

VAL

THR

ASP

SER

LYS

SER

ASP

GLY

7

ILE

TYR

LEU

THR

ILE

SER

LYS

ASP

ASN

8

ILE

CYS

GLN

PHE

SER

ASP

GLU

LYS

GLY

GLU

9

GLN

ILE

ASP

ILE

ASN

SER

GLN

PHE

ASN

SER

10

PHE

GLU

TYR

ASP

GLY

ILE

SER

PHE

HIS

LEU

11

LYS

ASN

MET

ARG

GLU

ASP

LYS

Samples:

sample_1: PROTEIN MXIG, [U-13C; U-15N], 5.4 mM; NaPi 25 mM; DTT 1 mM

sample_conditions_1: ionic strength: 25 mM; pH: 6.800; pressure: 1 atm; temperature: 298.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
HN(CO)CA	sample_1	solution	sample_conditions_1
CBCA(CO)NH	sample_1	solution	sample_conditions_1
CBCANH	sample_1	solution	sample_conditions_1
HNCO	sample_1	solution	sample_conditions_1
CC(CO)NH	sample_1	solution	sample_conditions_1
H(CCCO)NH	sample_1	solution	sample_conditions_1
15N-NOESY-HSQC	sample_1	solution	sample_conditions_1
13C-NOESY	sample_1	solution	sample_conditions_1
CLEANEX-PM	sample_1	solution	sample_conditions_1
long-range HNCO	sample_1	solution	sample_conditions_1
HNHA	sample_1	solution	sample_conditions_1

Software:

AutoDep v4.3, PDBE - collection

DYANA-1.5 vany, P. Guntert, C. Mumenthaler, K. Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker Avance 500 MHz

UNP	MXIG_SHIFL
PDB	2XXS 4A4Y
DBJ	BAA09145
EMBL	CAA88822 CAC05811 CEP57538 CSE38521 CSE65222
GB	AAK18455 AAL72329 AAZ91118 ABB64687 ADA76874
REF	NP_085299 NP_858269 WP_001287353 WP_001287354 WP_001287355
SP	P0A221 P0A222
AlphaFold	Q57332 P0A221 P0A222