BMRB Entry 17661

Name: Solution structure of the long sarafotoxin srtx-i3
Published: 2012-05-09

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PDB ID: 2lde
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17661
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of the long sarafotoxin srtx-i3

Deposition date:

2011-05-24

Original release date:

2012-05-09

Authors:

Cordier, Florence; Zorba, Adelajda; Hajj, Marianna; Ducancel, Frederic; Servent, Denis; Delepierre, Muriel

Citation:

Citation: Mourier, Gilles; Hajj, Mariana; Cordier, Florence; Zorba, Adelajda; Gao, XingHuang; Coskun, Tolga; Herbet, Amaury; Marcon, Elodie; Beau, Fabrice; Delepierre, Muriel; Ducancel, Frederic; Servent, Denis. "Pharmacological and structural characterization of long-sarafotoxins, a new family of endothelin-like peptides: Role of the C-terminus extension." Biochimie 94, 461-470 (2012).
PubMed: 21889567

Assembly members:

Assembly members:
srtx-i3, polymer, 25 residues, 2967.403 Da.

Natural source:

Natural source: Common Name: snake Taxonomy ID: 512568 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Atractaspis irregularis

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
srtx-i3: CSCTDMSDLECMNFCHKDVI WVNRN

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	170

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	srtx-i3	1

Entities:

Entity 1, srtx-i3 25 residues - 2967.403 Da.

1

CYS

SER

CYS

THR

ASP

MET

SER

ASP

LEU

GLU

2

CYS

MET

ASN

PHE

CYS

HIS

LYS

ASP

VAL

ILE

3

TRP

VAL

ASN

ARG

ASN

Samples:

sample_1: srtx-i3 3 mM; H2O 90%; D2O 10%

sample_25C: ionic strength: 0 M; pH: 4.5; pressure: 1 atm; temperature: 298 K

sample_35C: ionic strength: 0 M; pH: 4.5; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H COSY	sample_1	isotropic	sample_25C
2D 1H-1H TOCSY	sample_1	isotropic	sample_25C
2D 1H-1H NOESY	sample_1	isotropic	sample_25C
2D 1H-1H TOCSY	sample_1	isotropic	sample_35C
2D 1H-1H NOESY	sample_1	isotropic	sample_35C

Software:

VNMRJ, Varian - collection

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

ARIA, Linge, O'Donoghue and Nilges - refinement, structure solution

NMR spectrometers:

Varian INOVA 600 MHz
Varian INOVA 500 MHz