BMRB Entry 30785

Name: The solution structure of omega-theraphotoxin-Pm1b isolated from King Baboon spider
Published: 2021-09-01

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PDB ID: 7jpm
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30785
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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:

The solution structure of omega-theraphotoxin-Pm1b isolated from King Baboon spider

Deposition date:

2020-08-09

Original release date:

2021-09-01

Authors:

Chin, Y.; Ziegman, R.; Alewood, P.

Citation:

Citation: Finol-Urdaneta, Rocio; Ziegman, Rebekah; Dekan, Zoltan; McArthur, Jeffrey; Heitmann, Stewart; Luna-Ramirez, Karen; Tae, Han-Shen; Mueller, Alexander; Starobova, Hana; Chin, Yanni K-Y; Wingerd, Joshua; Undheim, Eivind; Cristofori-Armstrong, Ben; Hill, Adam; Herzig, Volker; King, Glenn; Vetter, Irina; Rash, Lachlan; Adams, David; Alewood, Paul. "Multitarget nociceptor sensitization by a promiscuous peptide from the venom of the King Baboon spider" Proc. Natl. Acad. Sci. U. S. A. 119, e2110932119-e2110932119 (2022).
PubMed: 35074873

Assembly members:

Assembly members:
entity_1, polymer, 42 residues, 4541.073 Da.

Natural source:

Natural source: Common Name: king baboon spider Taxonomy ID: 753628 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Pelinobius muticus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GVDKPGCRYLFGGCKSDDDC CPRLGCKGKGHDYCAWDGTF SD

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
13C chemical shifts	117
15N chemical shifts	42
1H chemical shifts	242

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 42 residues - 4541.073 Da.

1

GLY

VAL

ASP

LYS

PRO

GLY

CYS

ARG

TYR

LEU

2

PHE

GLY

CYS

LYS

SER

ASP

CYS

3

CYS

PRO

ARG

LEU

GLY

CYS

LYS

GLY

LYS

GLY

4

HIS

ASP

TYR

CYS

ALA

TRP

ASP

GLY

THR

PHE

5

SER

ASP

Samples:

sample_1: BkTx 1 mM; sodium phosphate 20 mM; D2O 5%

sample_conditions_1: ionic strength: 20 mM; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	sample_1	isotropic	sample_conditions_1
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

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

TopSpin, Bruker Biospin - processing

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

NMR spectrometers:

Bruker AVANCE 600 MHz

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