BMRB Entry 5524

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5524

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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:

Resonance Assignment and Topology of a Clostridial Repetitive Oligopeptide (CROP) Region of Toxin A from Clostridium Difficile

Deposition date:

2002-09-10

Original release date:

2003-01-14

Authors:

Rappas, Mathieu; Lim, Jenson; Simpson, Peter; Prasannan, Sunil; Fairweather, Neil; Matthews, Stephen

Citation:

Citation: Rappas, Mathieu; Lim, Jenson; Simpson, Peter; Prasannan, Sunil; Fairweather, Neil; Matthews, Stephen. "Letter to the Editor: Resonance Assignment and Topology of a Clostridial Repetitive Oligopeptide (CROP) Region of Toxin A from Clostridium difficile" J. Biomol. NMR 25, 83-84 (2003).

Assembly members:

Assembly members:
Toxin A sub-unit, polymer, 116 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Cl. difficile Taxonomy ID: 1496 Superkingdom: Eubacteria Kingdom: not available Genus/species: Clostridium difficile

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Toxin A sub-unit: MGANGYKTIDNKNFYFRNGL PQIGVFKGSNGFEYFAPANT DANNIEGQAIRYQNRFLHLL GKIYYFGNNSKAVTGWQTIN GKVYYFMPDTAMAAAGGLFE IDGVIYFFGVDGVKAP

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
13C chemical shifts	484
15N chemical shifts	131
1H chemical shifts	766

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Toxin A C-terminal fragment	1

Entities:

Entity 1, Toxin A C-terminal fragment 116 residues - Formula weight is not available

1

MET

GLY

ALA

ASN

GLY

TYR

LYS

THR

ILE

ASP

2

ASN

LYS

ASN

PHE

TYR

PHE

ARG

ASN

GLY

LEU

3

PRO

GLN

ILE

GLY

VAL

PHE

LYS

GLY

SER

ASN

4

GLY

PHE

GLU

TYR

PHE

ALA

PRO

ALA

ASN

THR

5

ASP

ALA

ASN

ILE

GLU

GLY

GLN

ALA

ILE

6

ARG

TYR

GLN

ASN

ARG

PHE

LEU

HIS

LEU

7

GLY

LYS

ILE

TYR

PHE

GLY

ASN

SER

8

LYS

ALA

VAL

THR

GLY

TRP

GLN

THR

ILE

ASN

9

GLY

LYS

VAL

TYR

PHE

MET

PRO

ASP

THR

10

ALA

MET

ALA

GLY

LEU

PHE

GLU

11

ILE

ASP

GLY

VAL

ILE

TYR

PHE

GLY

VAL

12

ASP

GLY

VAL

LYS

ALA

PRO

Samples:

sample_1: Toxin A sub-unit, [U-13C; U-15N], 0.25 – 0.5 mM; Sodium acetate 10 mM

Ex-cond_1: ionic strength: 0.01 mM; pH: 5.5; temperature: 313 K

Experiments:

Name	Sample	Sample state	Sample conditions
The NOESY-HSQC used simultaneous detection of C13/N15. The spectrometer has a	sample_1	not available	Ex-cond_1
cryoprobe.	sample_1	not available	Ex-cond_1

Software:

AURELIA v2.8.11 - Standard "strip-based" assignment

NMR spectrometers:

Bruker DRX 500 MHz

GB	EQF33976 EQI36199
REF	WP_021386796