BMRB Entry 19769

Name: Backbone Chemical Shifts of the designed protein Z-L2LBT variant A
Published: 2015-12-29

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19769

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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 Shifts of the designed protein Z-L2LBT variant A

Deposition date: 2014-02-05 Original release date: 2015-12-29

Authors: Subedi, Ganesh; Barb, Adam

Citation: Subedi, Ganesh; Barb, Adam. "An encodable lanthanide binding tag with reduced size and flexibility for measuring residual dipolar couplings and pseudocontact shifts in large proteins" J. Biomol. NMR ., .-..

Assembly members:
Z-L2LBT_variant_A, polymer, 83 residues, Formula weight is not available

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

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

Entity Sequences (FASTA):
Z-L2LBT_variant_A: MGSSHHHHHHSSGVDNKFNK EQQNAFYEILHLPNLNEEQR NAFIQSLKDYIDTNNDGAYE GDELQSADLLAEAKKLNDAQ APK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	161
15N chemical shifts	61
1H chemical shifts	61

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Z-L2LBT variant A	1

Entities:

Entity 1, Z-L2LBT variant A 83 residues - Formula weight is not available

1

MET

GLY

SER

HIS

2

SER

GLY

VAL

ASP

ASN

LYS

PHE

ASN

LYS

3

GLU

GLN

ASN

ALA

PHE

TYR

GLU

ILE

LEU

4

HIS

LEU

PRO

ASN

LEU

ASN

GLU

GLN

ARG

5

ASN

ALA

PHE

ILE

GLN

SER

LEU

LYS

ASP

TYR

6

ILE

ASP

THR

ASN

ASP

GLY

ALA

TYR

GLU

7

GLY

ASP

GLU

LEU

GLN

SER

ALA

ASP

LEU

8

ALA

GLU

ALA

LYS

LEU

ASN

ASP

ALA

GLN

9

ALA

PRO

LYS

Samples:

sample_1: Z-L2LBT variant A, [U-98% 13C; U-98% 15N], 150 uM; 3-(N-morpholino)propanesulfonic acid (MOPS) 25 mM; sodium chloride 100 mM; 4,4-dimethyl-4-silapentane-1-sulfonic acid (DSS) 0.5 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 8.0; pressure: 1 atm; temperature: 283.15 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 HNCO	sample_1	isotropic	sample_conditions_1

Software:

SPARKY v3.115, Goddard - chemical shift assignment

NMR spectrometers:

Varian VXRS 900 MHz
Varian VXRS 800 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