BMRB Entry 25653

Name: SOLUTION NMR STRUCTURE OF ASTEROPSIN G FROM MARINE SPONGE ASTEROPUS
Published: 2016-06-06

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PDB ID: 2n3p
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25653
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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:

SOLUTION NMR STRUCTURE OF ASTEROPSIN G FROM MARINE SPONGE ASTEROPUS

Deposition date:

2015-06-09

Original release date:

2016-06-06

Authors:

Su, Mingzhi; Jung, Jee

Citation:

Citation: Su, Mingzhi; Li, Huayue; Wang, Haibo; Kim, Eun La; Kim, Hyung Sik; Kim, Eun-Hee; Lee, Jaewon; Jung, Jee. "Stable and non-cytotoxic cystine knot peptides from a marine sponge asteropus" Bioorg Med Chem. 24, 2979-2987 (2016).
PubMed: 27189887

Assembly members:

Assembly members:
Asteropsin_G, polymer, 32 residues, 3524.975 Da.

Natural source:

Natural source: Common Name: sponges Taxonomy ID: 350938 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: not available not available

Experimental source:

Experimental source: Production method: purified from the natural source Host organism: Asteropus

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Asteropsin_G: XWCAEEGESCEVYPCCDGLI CYPTFPEPICGV

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	107
1H chemical shifts	200

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Asteropsin_G	1

Entities:

Entity 1, Asteropsin_G 32 residues - 3524.975 Da.

1

PCA

TRP

CYS

ALA

GLU

GLY

GLU

SER

CYS

2

GLU

VAL

TYR

PRO

CYS

ASP

GLY

LEU

ILE

3

CYS

TYR

PRO

THR

PHE

PRO

GLU

PRO

ILE

CYS

4

GLY

VAL

Samples:

sample_1: Asteropsin G 10 mM; DMSO 100%

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - processing

SPARKY, Goddard - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - processing

NMR spectrometers:

Varian INOVA 600 MHz