BMRB Entry 19336

Name: NMR assignments of 5P12-RANTES-E66S in the presence of dodecylphosphocholine
Published: 2014-02-04

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19336

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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:

NMR assignments of 5P12-RANTES-E66S in the presence of dodecylphosphocholine

Deposition date:

2013-07-03

Original release date:

2014-02-04

Authors:

Wiktor, Maciej; Grzesiek, Stephan

Citation:

Citation: Wiktor, Maciej; Hartley, Oliver; Grzesiek, Stephan. "Characterization of structure, dynamics, and detergent interactions of the anti-HIV chemokine variant 5P12-RANTES" Biophys. J. 105, 2586-2597 (2013).
PubMed: 24314089

Assembly members:

Assembly members:
5P12-RANTES-E66S, polymer, 69 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEV2

Entity Sequences (FASTA):

Entity Sequences (FASTA):
5P12-RANTES-E66S: QGPPLMATQSCCFAYIARPL PRAHIKEYFYTSGKCSNPAV VFVTRKNRQVCANPEKKWVR EYINSLSMS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	181
15N chemical shifts	60
1H chemical shifts	60

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	5P12-RANTES-E66S	1

Entities:

Entity 1, 5P12-RANTES-E66S 69 residues - Formula weight is not available

1

GLN

GLY

PRO

LEU

MET

ALA

THR

GLN

SER

2

CYS

PHE

ALA

TYR

ILE

ALA

ARG

PRO

LEU

3

PRO

ARG

ALA

HIS

ILE

LYS

GLU

TYR

PHE

TYR

4

THR

SER

GLY

LYS

CYS

SER

ASN

PRO

ALA

VAL

5

VAL

PHE

VAL

THR

ARG

LYS

ASN

ARG

GLN

VAL

6

CYS

ALA

ASN

PRO

GLU

LYS

TRP

VAL

ARG

7

GLU

TYR

ILE

ASN

SER

LEU

SER

MET

SER

Samples:

sample_1: 5P12-RANTES-E66S, [U-98% 13C; U-98% 15N], 0.25 mM; sodium formate, [U-99% 2H], 50 mM; sodium azide 0.02%; dodecylphosphocholine 1%; H2O 1%; D2O 1%

sample_conditions_1: pH: 3.8; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D CBCANH	sample_1	isotropic	sample_conditions_1
3D CBCACONH	sample_1	isotropic	sample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

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

NMR spectrometers:

Bruker DRX 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks