BMRB Entry 26614

Name: Solid-state NMR assignment of MxiH (serotype 5a) T3SS needles
Published: 2016-07-15

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26614

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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:

Solid-state NMR assignment of MxiH (serotype 5a) T3SS needles

Deposition date:

2015-07-16

Original release date:

2016-07-15

Authors:

Verasdonck, Joeri; Shen, Da-Kang; Treadgold, Alexander; Arthur, Christopher; Boeckmann, Anja; Meier, Beat; Blocker, Ariel

Citation:

Citation: Verasdonck, Joeri; Shen, Da-Kang; Treadgold, Alexander; Arthur, Christopher; Boeckmann, Anja; Meier, Beat; Blocker, Ariel. "Reassessment of MxiH subunit orientation and fold within native Shigella T3SS needles using surface labelling and solid-state NMR" J. Struct. Biol. 192, 441-448 (2015).
PubMed: 26439285

Assembly members:

Assembly members:
MxiH, polymer, 83 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: purified from the natural source Host organism: Shigella flexnier Vector: ...

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MxiH: MSVTVPNDDWTLSSLSETFD DGTQTLQGELTLALDKLAKN PSNPQLLAEYQSKLSEYTLY RNAQSNTVKVIKDVDAAIIQ NFR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	378
15N chemical shifts	78

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MxiH	1

Entities:

Entity 1, MxiH 83 residues - Formula weight is not available

1

MET

SER

VAL

THR

VAL

PRO

ASN

ASP

TRP

2

THR

LEU

SER

LEU

SER

GLU

THR

PHE

ASP

3

ASP

GLY

THR

GLN

THR

LEU

GLN

GLY

GLU

LEU

4

THR

LEU

ALA

LEU

ASP

LYS

LEU

ALA

LYS

ASN

5

PRO

SER

ASN

PRO

GLN

LEU

ALA

GLU

TYR

6

GLN

SER

LYS

LEU

SER

GLU

TYR

THR

LEU

TYR

7

ARG

ASN

ALA

GLN

SER

ASN

THR

VAL

LYS

VAL

8

ILE

LYS

ASP

VAL

ASP

ALA

ILE

GLN

9

ASN

PHE

ARG

Samples:

sample_1: MxiH, [U-100% 13C; U-100% 15N], 10 mg

sample_conditions_1: pH: 7.4; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 20ms DARR	sample_1	isotropic	sample_conditions_1
2D NCA	sample_1	isotropic	sample_conditions_1
2D 200ms DARR	sample_1	isotropic	sample_conditions_1
3D CCC	sample_1	isotropic	sample_conditions_1
3D NCACB	sample_1	isotropic	sample_conditions_1

Software:

CcpnNMR_Analysis v2.4, CCPN - data analysis

NMR spectrometers:

Bruker Avance 850 MHz