BMRB Entry 31129

Name: Structure of Asterias rubens peptide KASH2-amide
Published: 2024-11-21

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PDB ID: 8v2u
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31129
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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:

Structure of Asterias rubens peptide KASH2-amide

Deposition date:

2023-11-23

Original release date:

2024-11-21

Authors:

Takjoo, R.; Le Quilliec, J.; Daly, N.

Citation:

Citation: Takjoo, Rozita; Wilson, David; Le Quilliec, Justine; Schmidt, Casey; Zhao, Guangzu; Liddell, Michael; Shaikh, Naeem; Sunagar, Kartik; Loukas, Alex; Smout, Michael; Daly, Norelle. "Structural analysis of an Asterias rubens peptide indicates the presence of a disulfide-directed beta-hairpin" FEBS Open Bio. ., .-..
PubMed: 39561265

Assembly members:

Assembly members:
entity_1, polymer, 27 residues, 2894.264 Da.

Natural source:

Natural source: Common Name: European starfish Taxonomy ID: 7604 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Asterias rubens

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: YTCGPLFQCPAGQYCQDKDG TGYCFKX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	74
1H chemical shifts	157

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 27 residues - 2894.264 Da.

1

TYR

THR

CYS

GLY

PRO

LEU

PHE

GLN

CYS

PRO

2

ALA

GLY

GLN

TYR

CYS

GLN

ASP

LYS

ASP

GLY

3

THR

GLY

TYR

CYS

PHE

LYS

NH2

Samples:

sample_1: KASH2-amide 0.5 mM

sample_conditions_1: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 290 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	anisotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	anisotropic	sample_conditions_1
2D DQF-COSY	sample_1	anisotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	anisotropic	sample_conditions_1

Software:

TopSpin v3.98.15, Bruker Biospin - collection

CcpNmr Analysis v3.98.15, CCPN - chemical shift assignment

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

NMR spectrometers:

Bruker AVANCE 600 MHz