BMRB Entry 36047

Name: Solution NMR structure of peptide toxin SsTx from Scolopendra subspinipes mutilans
Published: 2018-01-22

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PDB ID: 5x0s
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36047
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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 NMR structure of peptide toxin SsTx from Scolopendra subspinipes mutilans

Deposition date:

2017-01-23

Original release date:

2018-01-22

Authors:

Wu, F.; Luo, L.; Qu, D.; Zhang, L.; Tian, C.; Lai, R.

Citation:

Citation: Luo, Lei; Li, Bowen; Wang, Sheng; Wu, Fangming; Wang, Xiaochen; Liang, Ping; Ombati, Rose; Chen, Junji; Lu, Xiancui; Cui, Jianmin; Lu, Qiumin; Zhang, Longhua; Zhou, Ming; Tian, Changlin; Yang, Shilong; Lai, Ren. "Centipedes subdue giant prey by blocking KCNQ channels" Proc. Natl. Acad. Sci. U. S. A. 115, 1646-1651 (2018).
PubMed: 29358396

Assembly members:

Assembly members:
SsTx, polymer, 53 residues, 6032.960 Da.

Natural source:

Natural source: Common Name: Scolopendra mutilans Taxonomy ID: 251420 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Scolopendra mutilans

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SsTx: EVIKKDTPYKKRKFPYKSEC LKACATSFTGGDESRIQEGK PGFFKCTCYFTTG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	296

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 53 residues - 6032.960 Da.

1

GLU

VAL

ILE

LYS

ASP

THR

PRO

TYR

LYS

2

LYS

ARG

LYS

PHE

PRO

TYR

LYS

SER

GLU

CYS

3

LEU

LYS

ALA

CYS

ALA

THR

SER

PHE

THR

GLY

4

GLY

ASP

GLU

SER

ARG

ILE

GLN

GLU

GLY

LYS

5

PRO

GLY

PHE

LYS

CYS

THR

CYS

TYR

PHE

6

THR

GLY

Samples:

sample_1: SsTx 5 mM; sodium chloride 50 ± 2 mM; sodium phosphate 50 ± 2 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 0.35 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

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

SPARKY, Goddard - chemical shift assignment

VNMR, Varian - collection

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

NMR spectrometers:

Varian INOVA 700 MHz