BMRB Entry 20110

Name: Solution structure of PV1-VPgpU
Published: 2010-08-23

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20110

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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 structure of PV1-VPgpU PubMed: 20441784

Deposition date: 2009-12-09 Original release date: 2010-08-23

Authors: Schein, Catherine; Oezguen, Numan

Citation: Schein, Catherine; Oezguen, Numan; Noort, Gerbrand; Filippov, Dmitri; Paul, Aniko; Kumar, Eric; Braun, Werner. "NMR solution structure of poliovirus uridylyated peptide linked to the genome (VPgpU)" Peptides 31, 1441-1448 (2010).

Assembly members:
VPgpU, polymer, 22 residues, Formula weight is not available

Natural source: Common Name: Human enterovirus C Taxonomy ID: 138950 Superkingdom: not available Kingdom: Viruses Genus/species: not available Enterovirus

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
VPgpU: GAXTGLPNKKPNVPTIRTAK VQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
conformer_family_coord_set
- ensemble_coordinates
spectral_peak_list
- spectral_peak_list_1

Data type	Count
15N chemical shifts	1
1H chemical shifts	164

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	VPgpU	1

Entities:

Entity 1, VPgpU 22 residues - Formula weight is not available

Chemical conjugate of UMP and VPg

1

GLY

ALA

TYU

THR

GLY

LEU

PRO

ASN

LYS

2

PRO

ASN

VAL

PRO

THR

ILE

ARG

THR

ALA

LYS

3

VAL

GLN

Samples:

sample_1: VPgpU 2.3 mM; sodium phosphate 10 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 7.5; temperature: 278 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment

NOAH, Werner Braun group - peak picking

DIAMOD, Werner Braun group - structure solution

NMR spectrometers:

Varian UnityPlus 750 MHz

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