BMRB Entry 52570

Name: Backbone chemical shift assignment of E.coli CcdB_G100T toxin in complex with CcdA-c (residue 50-72) from CcdAB TA system -B
Published: 2024-08-01

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52570

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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 chemical shift assignment of E.coli CcdB_G100T toxin in complex with CcdA-c (residue 50-72) from CcdAB TA system -B

Deposition date:

2024-07-28

Original release date:

2024-08-01

Authors:

Nanda, Bahnikana; Sarma, Siddhartha P; Bhowmick, Jayantika; Varadarajan, Raghavan

Citation:

Citation: Nanda, Bahnikana; Sarma, Siddhartha; Bhowmick, Jayantika; Varadarajan, Raghavan. "Backbone assignment of CcdB_G100T toxin from E.coli in complex with the toxin binding c-terminal domain of its cognate antitoxin CcdA" .

Assembly members:

Assembly members:
entity_1, polymer, 101 residues, 11751.541 Da.
entity_2, polymer, 23 residues, Formula weight is not available

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MQFKVYTYKRESRYRLFVDV QSDIIDTPGRRMVIPLASAR LLSDKVSRELYPVVHIGDES WRMMTTDMASVPVSVIGEEV ADLSHRENDIKNAINLMFWT I
entity_2: EGMAEVARFIEMNGSFADEN RDW

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	178
15N chemical shifts	71
1H chemical shifts	71

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CcdB_G100T	1
2	CcdA-c	2

Entities:

Entity 1, CcdB_G100T 101 residues - 11751.541 Da.

101 residues long polypeptide with G100T mutation (sequence numbering 201-301)

1

MET

GLN

PHE

LYS

VAL

TYR

THR

TYR

LYS

ARG

2

GLU

SER

ARG

TYR

ARG

LEU

PHE

VAL

ASP

VAL

3

GLN

SER

ASP

ILE

ASP

THR

PRO

GLY

ARG

4

ARG

MET

VAL

ILE

PRO

LEU

ALA

SER

ALA

ARG

5

LEU

SER

ASP

LYS

VAL

SER

ARG

GLU

LEU

6

TYR

PRO

VAL

HIS

ILE

GLY

ASP

GLU

SER

7

TRP

ARG

MET

THR

ASP

MET

ALA

SER

8

VAL

PRO

VAL

SER

VAL

ILE

GLY

GLU

VAL

9

ALA

ASP

LEU

SER

HIS

ARG

GLU

ASN

ASP

ILE

10

LYS

ASN

ALA

ILE

ASN

LEU

MET

PHE

TRP

THR

11

ILE

Entity 2, CcdA-c 23 residues - Formula weight is not available

1

GLU

GLY

MET

ALA

GLU

VAL

ALA

ARG

PHE

ILE

2

GLU

MET

ASN

GLY

SER

PHE

ALA

ASP

GLU

ASN

3

ARG

ASP

TRP

Samples:

sample_1: CcdB_G100T in complex - molecule B, [U-13C; U-15N; U-2H], 800 uM; HEPES 10 mM; EDTA 1 mM

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CACB	sample_1	isotropic	sample_conditions_1

Software:

VNMRj v4.2 - data acquisition

NMRPipe - data processing

CcpNMR v2.4.2 - data analysis

NMR spectrometers:

Agilent DDS2 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks