BMRB Entry 25591

Name: Solid-state NMR structure of Vpu
Published: 2015-09-28

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PDB ID: 2n28
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25591
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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:

Solid-state NMR structure of Vpu

Deposition date:

2015-05-01

Original release date:

2015-09-28

Authors:

Zhang, H.; Lin, E.; Tian, Y.; Das, B.; Opella, S.

Citation:

Citation: Zhang, H.; Lin, E.; Tian, Y.; Das, B.; Opella, S.. "Structural determination of virus protein U from HIV-1 by NMR in membrane environments" Biochim. Biophys. Acta 1848, 3007-3018 (2015).
PubMed: 26362058

Assembly members:

Assembly members:
HIV-1_Virus_protein_U, polymer, 81 residues, 9147.735 Da.
4-(trifluoromethyl)aniline, non-polymer, 161.124 Da.

Natural source:

Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET31b+

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HIV-1_Virus_protein_U: MQPIQIAIVALVVAIIIAIV VWSIVIIEYRKILRQRKIDR LIDRLIERAEDSGNESEGEI SALVELGVELGHHAPWDVDD L

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	112
15N chemical shifts	47

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HIV-1 Virus protein U	1
2	4-(TRIFLUOROMETHYL)ANILINE	2

Entities:

Entity 1, HIV-1 Virus protein U 81 residues - 9147.735 Da.

1

MET

GLN

PRO

ILE

GLN

ILE

ALA

ILE

VAL

ALA

2

LEU

VAL

ALA

ILE

ALA

ILE

VAL

3

VAL

TRP

SER

ILE

VAL

ILE

GLU

TYR

ARG

4

LYS

ILE

LEU

ARG

GLN

ARG

LYS

ILE

ASP

ARG

5

LEU

ILE

ASP

ARG

LEU

ILE

GLU

ARG

ALA

GLU

6

ASP

SER

GLY

ASN

GLU

SER

GLU

GLY

GLU

ILE

7

SER

ALA

LEU

VAL

GLU

LEU

GLY

VAL

GLU

LEU

8

GLY

HIS

ALA

PRO

TRP

ASP

VAL

ASP

9

LEU

Entity 2, 4-(TRIFLUOROMETHYL)ANILINE - C7 H6 F3 N - 161.124 Da.

1

ANI

Samples:

sample: HIV-1 Virus protein U, [U-100% 13C; U-100% 15N], 8.5 mM; H20 100%

sample_conditions_1: ionic strength: 20 mM; pH: 7.3; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D_13C/13C_PDSD	sample	isotropic	sample_conditions_1
2D_13C/15N_HETCOR	sample	isotropic	sample_conditions_1
2D_13C/13C_TOBSY	sample	isotropic	sample_conditions_1
2D_13C-1H_DC/13C_SLF	sample	isotropic	sample_conditions_1
2D_15N-1H_DC/13C_SLF	sample	isotropic	sample_conditions_1
3D_15N/13CA/13C	sample	isotropic	sample_conditions_1
3D_15N/13C'/13C	sample	isotropic	sample_conditions_1
3D_1H-15N_DC/15N/13CA_SLF	sample	isotropic	sample_conditions_1
3D_1H-13C_DC/15N/13CA_SLF	sample	isotropic	sample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

NMR spectrometers:

Bruker Avance 700 MHz