BMRB Entry 19439

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for murine norovirus NS1/2 CW3 WT
Published: 2014-11-21

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PDB ID: 2mch
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19439
MolProbity Validation Chart

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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 1H, 13C, and 15N Chemical Shift Assignments for murine norovirus NS1/2 CW3 WT

Deposition date:

2013-08-20

Original release date:

2014-11-21

Authors:

Borin, Brendan; Krezel, Andrzej

Citation:

Citation: Borin, Brendan; Tang, Wei; Nice, Timothy; McCune, Broc; Virgin, Herbert; Krezel, Andrzej. "Murine norovirus protein NS1/2 aspartate to glutamate mutation sufficient for persistence reorients sidechain of surface exposed tryptophan within a novel structured domain" Proteins 82, 1200-1209 (2014).
PubMed: 24273131

Assembly members:

Assembly members:
entity, polymer, 69 residues, 7989.188 Da.

Natural source:

Natural source: Common Name: norovirus Taxonomy ID: 142786 Superkingdom: virus Kingdom: not available Genus/species: norovirus not available

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: MRGSHHHHHHGSGALAALHA EGPLAGLPVTRSDARVLIFN EWEERKKSDPWLRLDMSDKA IFRRYPHLR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	108
15N chemical shifts	51
1H chemical shifts	371

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	murine norovirus NS1/2 CW3 WT	1

Entities:

Entity 1, murine norovirus NS1/2 CW3 WT 69 residues - 7989.188 Da.

MRGSHHHHHHGS is a non-native affinity tag. The remainder of the protein consists of residues 58-114 of the WT protein.

1

MET

ARG

GLY

SER

HIS

2

GLY

SER

GLY

ALA

LEU

ALA

LEU

HIS

ALA

3

GLU

GLY

PRO

LEU

ALA

GLY

LEU

PRO

VAL

THR

4

ARG

SER

ASP

ALA

ARG

VAL

LEU

ILE

PHE

ASN

5

GLU

TRP

GLU

ARG

LYS

SER

ASP

PRO

6

TRP

LEU

ARG

LEU

ASP

MET

SER

ASP

LYS

ALA

7

ILE

PHE

ARG

TYR

PRO

HIS

LEU

ARG

Samples:

sample_1: sodium phosphate 50 mM; sodium chloride 300 mM; entity 0.5 mM; DSS 0 mM

sample_2: sodium phosphate 50 mM; sodium chloride 300 mM; entity, [U-100% 13C; U-100% 15N], 0.5 mM; DSS 0 mM

sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
CBCANH	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

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

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

SPARKY, Goddard - peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

ProcheckNMR, Laskowski and MacArthur - geometry optimization

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz
Bruker Avance 900 MHz

PDB	2MCH
GB	AAO63098 ABB90153 ABJ98943 ABS29272 ABU55540
REF	YP_720001 YP_724455