BMRB Entry 26800

Name: Resonance assignments of a VapC family toxin from Clostridium thermocellum
Published: 2016-08-31

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26800

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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 assignments of a VapC family toxin from Clostridium thermocellum

Deposition date:

2016-05-13

Original release date:

2016-08-31

Authors:

Wang, Chen; Xuan, Jinsong; Cui, Qiu; Feng, Yingang

Citation:

Citation: Wang, Chen; Xuan, Jinsong; Cui, Qiu; Feng, Yingang. "Resonance assignments of a VapC family toxin from Clostridium thermocellum" Biomol. NMR Assign. 10, 367-371 (2016).
PubMed: 27386855

Assembly members:

Assembly members:
CtVapC-D92A, polymer, 142 residues, Formula weight is not available

Natural source:

Natural source: Common Name: firmicutes Taxonomy ID: 1515 Superkingdom: Bacteria Kingdom: not available Genus/species: Clostridium thermocellum

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET30a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CtVapC-D92A: MRVLIDTNILISASLSCEGT PYQAYIKAVTHPNHGMVCDQ NIDELRRVYNRKFPHKIQAL ERFLAIALTVLEVVPTPAVD VSDEALVRDASARPILRAAI AAKADVLVTGDRDFLESGIT NPKIVTAAEFLQMELEHHHH HH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	625
15N chemical shifts	143
1H chemical shifts	1007

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	VapC family toxin	1

Entities:

Entity 1, VapC family toxin 142 residues - Formula weight is not available

1

MET

ARG

VAL

LEU

ILE

ASP

THR

ASN

ILE

LEU

2

ILE

SER

ALA

SER

LEU

SER

CYS

GLU

GLY

THR

3

PRO

TYR

GLN

ALA

TYR

ILE

LYS

ALA

VAL

THR

4

HIS

PRO

ASN

HIS

GLY

MET

VAL

CYS

ASP

GLN

5

ASN

ILE

ASP

GLU

LEU

ARG

VAL

TYR

ASN

6

ARG

LYS

PHE

PRO

HIS

LYS

ILE

GLN

ALA

LEU

7

GLU

ARG

PHE

LEU

ALA

ILE

ALA

LEU

THR

VAL

8

LEU

GLU

VAL

PRO

THR

PRO

ALA

VAL

ASP

9

VAL

SER

ASP

GLU

ALA

LEU

VAL

ARG

ASP

ALA

10

SER

ALA

ARG

PRO

ILE

LEU

ARG

ALA

ILE

11

ALA

LYS

ALA

ASP

VAL

LEU

VAL

THR

GLY

12

ASP

ARG

ASP

PHE

LEU

GLU

SER

GLY

ILE

THR

13

ASN

PRO

LYS

ILE

VAL

THR

ALA

GLU

PHE

14

LEU

GLN

MET

GLU

LEU

GLU

HIS

15

HIS

Samples:

sample_1: CtVapC-D92A, [U-13C; U-15N], 1.0 mM; sodium phosphate 50 mM; potassium chloride 100 mM; EDTA 2 mM; DTT 10 mM; DSS 0.01 w/v; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 170 mM; pH: 5.75; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHANH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D CCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D CCH-COSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

Bruker Avance 600 MHz

UNP	A3DFW5_CLOTH
AlphaFold	A3DFW5