BMRB Entry 15503

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for MxiM(28-142)
Published: 2008-10-31

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15503

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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:

Backbone 1H, 13C, and 15N Chemical Shift Assignments for MxiM(28-142)

Deposition date:

2007-10-02

Original release date:

2008-10-31

Authors:

Okon, Mark; Lario, Paula; Creagh, Louise; Jung, Young; Maurelli, Anthony; Strynadka, Natalie; McIntosh, Lawrence

Citation:

Citation: Okon, Mark; Moraea, Trevor; Lario, Paula; Creagh, Louise; Haynes, Charles; Strynadka, Natalie; McIntosh, Lawrence. "Structural characterization of the type-III pilot-secretin complex from Shigella flexneri" Structure 16, 1544-1554 (2008).
PubMed: 18940609

Assembly members:

Assembly members:
MxiM(28-142), polymer, 115 residues, 12650 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: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MxiM(28-142): SSSNSEKEWHIVPVSKDYFS IPNDLLWSFNTTNKSINVYS KCISGKAVYSFNAGKFMGNF NVKEVDGCFMDAQKIAIDKL FSMLKDGVVLKGNKINDTIL IEKDGEVKLKLIRGI

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	216
15N chemical shifts	105
1H chemical shifts	105

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MxiM(28-142)	1

Entities:

Entity 1, MxiM(28-142) 115 residues - 12650 Da.

1

SER

ASN

SER

GLU

LYS

GLU

TRP

HIS

2

ILE

VAL

PRO

VAL

SER

LYS

ASP

TYR

PHE

SER

3

ILE

PRO

ASN

ASP

LEU

TRP

SER

PHE

ASN

4

THR

ASN

LYS

SER

ILE

ASN

VAL

TYR

SER

5

LYS

CYS

ILE

SER

GLY

LYS

ALA

VAL

TYR

SER

6

PHE

ASN

ALA

GLY

LYS

PHE

MET

GLY

ASN

PHE

7

ASN

VAL

LYS

GLU

VAL

ASP

GLY

CYS

PHE

MET

8

ASP

ALA

GLN

LYS

ILE

ALA

ILE

ASP

LYS

LEU

9

PHE

SER

MET

LEU

LYS

ASP

GLY

VAL

LEU

10

LYS

GLY

ASN

LYS

ILE

ASN

ASP

THR

ILE

LEU

11

ILE

GLU

LYS

ASP

GLY

GLU

VAL

LYS

LEU

LYS

12

LEU

ILE

ARG

GLY

ILE

Samples:

sample_1: MxiM(28-142), [U-95% 13C; U-95% 15N], 0.3 -0.5 mM; HEPES 20 mM; dodecylmaltosid 0.5 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 20 mM; pH: 6.5; pressure: 1 atm; temperature: 288 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView vnmrview5.0.4.linux, Johnson, One Moon Scientific - chemical shift assignment

NMR spectrometers:

Varian Unity 500 MHz

BMRB	15504
PDB	1Y9L 1Y9T 2JW1
DBJ	BAA09152
EMBL	CAC05818 CEP57531 CSE38496 CSE96731 CSF42817
GB	AAA26534 AAK18462 AAL72325 AAP79006 AAZ91125
REF	NP_085306 NP_858276 WP_001346200 WP_010921672 WP_039064510
SP	P0A1X2 P0A1X3
AlphaFold	P0A1X2 P0A1X3