BMRB Entry 34514

Name: Solution NMR structure of the isolated NTE domain of BT1762-63 levan transporter
Published: 2020-07-03

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR34514

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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: Solution NMR structure of the isolated NTE domain of BT1762-63 levan transporter

Deposition date: 2020-04-24 Original release date: 2020-07-03

Authors: Rath, P.; Mazur, A.; Hiller, S.

Citation: Rath, P.; Mazur, A.; Hiller, S.. "Solution NMR structure of the isolated NTE domain of BT1762-63 levan transporter" . ., .-..

Assembly members:
entity_1, polymer, 93 residues, 9947.120 Da.

Natural source: Common Name: Bacteroides thetaiotaomicron Taxonomy ID: 818 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacteroides thetaiotaomicron

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

Entity Sequences (FASTA):
entity_1: MGHHHHHHTKGNVTSKTDGQ PIIGASVVETTATTNGTITD FDGNFTLSVPVNSTLKITYI GYKPVTVKAAAIVNVLLEED TQMVDEVVVTGYT

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1
- spectral_peak_list_2

Data type	Count
13C chemical shifts	245
15N chemical shifts	89
1H chemical shifts	599

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 93 residues - 9947.120 Da.

1

MET

GLY

HIS

THR

LYS

2

GLY

ASN

VAL

THR

SER

LYS

THR

ASP

GLY

GLN

3

PRO

ILE

GLY

ALA

SER

VAL

GLU

THR

4

THR

ALA

THR

ASN

GLY

THR

ILE

THR

ASP

5

PHE

ASP

GLY

ASN

PHE

THR

LEU

SER

VAL

PRO

6

VAL

ASN

SER

THR

LEU

LYS

ILE

THR

TYR

ILE

7

GLY

TYR

LYS

PRO

VAL

THR

VAL

LYS

ALA

8

ALA

ILE

VAL

ASN

VAL

LEU

GLU

ASP

9

THR

GLN

MET

VAL

ASP

GLU

VAL

THR

10

GLY

TYR

THR

Samples:

sample_1: Isolated NTE domain of BT1762-63 levan transporter, [U-15N; U-13C], 1 mM; Isolated NTE domain of BT1762-63 levan transporter_2, [U-15N; U-13C], 1 mM; Isolated NTE domain of BT1762-63 levan transporter_3, [U-15N; U-13C], 1 mM; Isolated NTE domain of BT1762-63 levan transporter_4, [U-15N; U-13C], 1 mM; Isolated NTE domain of BT1762-63 levan transporter_5, [U-15N; U-13C], 1 mM; sodium phosphate 20 mM; NaCl 150 mM

sample_conditions_1: ionic strength: 150 mM; pH: 7.5; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	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
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert P., Guntert, Mumenthaler and Wuthrich - peak picking, refinement, structure calculation

CARA, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker AVANCE 700 MHz
Bruker AVANCE 700 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts