BMRB Entry 30315

Name: AsK132958: A minimal homologue of ShK identified in the transcriptome of Anemonia sulcata
Published: 2017-10-19

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PDB ID: 5wcv
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30315
MolProbity Validation Chart

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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:

AsK132958: A minimal homologue of ShK identified in the transcriptome of Anemonia sulcata

Deposition date:

2017-07-02

Original release date:

2017-10-19

Authors:

Krishnarjuna, B.; MacRaild, C.; Norton, R.

Citation:

Citation: Krishnarjuna, Bankala; MacRaild, Christopher; Sunanda, Punnepalli; Morales, Rodrigo; Peigneur, Steve; Macrander, Jason; Yu, Heidi; Daly, Marymegan; Raghothama, Srinivasarao; Dhawan, Vikas; Chauhan, Satendra; Tytgat, Jan; Pennington, Michael; Norton, Raymond. "Structure, folding and stability of a minimal homologue from Anemonia sulcata of the sea anemone potassium channel blocker ShK" Peptides 99, 169-178 (2017).
PubMed: 28993277

Assembly members:

Assembly members:
ShK homolog AsK132958, polymer, 29 residues, 3134.659 Da.

Natural source:

Natural source: Common Name: snake-locks sea anemone Taxonomy ID: 6108 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Anemonia Sulcata

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ShK homolog AsK132958: CENTISGCSRADCLLTHRKQ GCQKTCGLC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
15N chemical shifts	33
1H chemical shifts	187

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 29 residues - 3134.659 Da.

1

CYS

GLU

ASN

THR

ILE

SER

GLY

CYS

SER

ARG

2

ALA

ASP

CYS

LEU

THR

HIS

ARG

LYS

GLN

3

GLY

CYS

GLN

LYS

THR

CYS

GLY

LEU

CYS

Samples:

sample_1: AsK132958 1 mM

sample_conditions_1: ionic strength: 0 Not defined; pH: 4; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

Analysis, CCPN - chemical shift assignment, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

XPLOR-NIH, G. Marius Clore, Guillermo Bermejo, John Kuszewski, Charles D. Schwieters, and Nico Tjandra - refinement

NMR spectrometers:

Bruker AvanceIII 600 MHz

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