BMRB Entry 25598

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

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PDB ID: 2n2g
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25598
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: SOLUTION NMR STRUCTURE OF ASTEROPSIN F FROM MARINE SPONGE ASTEROPUS PubMed: 27189887

Deposition date: 2015-05-07 Original release date: 2016-06-06

Authors: Su, Mingzhi; Jung, Jee

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).

Assembly members:
Asteropsin_F, polymer, 33 residues, 3548.054 Da.

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

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

Entity Sequences (FASTA):
Asteropsin_F: CPGEGEECDVEFNPCCPPLT CIPGDPYGICYII

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	96
1H chemical shifts	210

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ASTEROPSIN F	1

Entities:

Entity 1, ASTEROPSIN F 33 residues - 3548.054 Da.

1

CYS

PRO

GLY

GLU

GLY

GLU

CYS

ASP

VAL

2

GLU

PHE

ASN

PRO

CYS

PRO

LEU

THR

3

CYS

ILE

PRO

GLY

ASP

PRO

TYR

GLY

ILE

CYS

4

TYR

ILE

Samples:

sample_1: Asteropsin F 10 mg/mL

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

Experiments:

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

Software:

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - processing

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

NMR spectrometers:

Bruker BioSpin GmbH 900 MHz