BMRB Entry 18300

Name: Solution NMR structure of asteropusin A from marine sponge Asteropus sp.
Published: 2013-02-05

Click here to enlarge.

PDB ID: 2lqa
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18300
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Solution NMR structure of asteropusin A from marine sponge Asteropus sp.

Deposition date:

2012-02-28

Original release date:

2013-02-05

Authors:

Li, Huayue; Bowling, John; Hamann, Mark; Jung, Jee

Citation:

Citation: Li, Huayue; Bowling, John; Fronczek, Frank; Hong, Jongki; Jabbae, Sairam; Murray, Thomas; Haa, Nam-Chul; Hamann, Mark; Jung, Jee. "A New Knottin from a Marine Sponge Which Enhances Neuronal Ca2+ Influx" Biochim. Biophys. Acta 1830, 2591-2599 (2012).
PubMed: 23201194

Assembly members:

Assembly members:
Asteropusin_A, polymer, 37 residues, 3904.393 Da.

Natural source:

Natural source: Common Name: sponges Taxonomy ID: 350938 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Asteropus sp.

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Asteropusin_A: XGCAFEGESCNVQFYPCCPG LGLTCIPGNPDGTCYYL

Data sets:

assigned_chemical_shifts
- ABU8-1_chem_shift_list_1

Data type	Count
13C chemical shifts	118
1H chemical shifts	228

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Asteropusin_A	1

Entities:

Entity 1, Asteropusin_A 37 residues - 3904.393 Da.

1

PCA

GLY

CYS

ALA

PHE

GLU

GLY

GLU

SER

CYS

2

ASN

VAL

GLN

PHE

TYR

PRO

CYS

PRO

GLY

3

LEU

GLY

LEU

THR

CYS

ILE

PRO

GLY

ASN

PRO

4

ASP

GLY

THR

CYS

TYR

LEU

Samples:

ABU8-1: methanol 10 mM

ABU8-1_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	ABU8-1	isotropic	ABU8-1_conditions_1
2D 1H-1H TOCSY	ABU8-1	isotropic	ABU8-1_conditions_1
2D DQF-COSY	ABU8-1	isotropic	ABU8-1_conditions_1
2D 1H-13C HSQC aliphatic	ABU8-1	isotropic	ABU8-1_conditions_1
2D 1H-13C HSQC aromatic	ABU8-1	isotropic	ABU8-1_conditions_1

Software:

CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

Varian INOVA 600 MHz
Varian INOVA 500 MHz