BMRB Entry 18783

Name: SOLUTION NMR STRUCTURE OF ASTEROPSIN B FROM A MARINE SPONGE ASTEROPUS SP.
Published: 2013-10-21

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PDB ID: 2lzx
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18783
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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 B FROM A MARINE SPONGE ASTEROPUS SP.

Deposition date:

2012-10-11

Original release date:

2013-10-21

Authors:

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

Citation:

Citation: Li, Huayue; Bowling, John; Su, Mingzhi; Hong, Jongki; Lee, Bong-Jin; Hamann, Mark; Jung, Jee. "Asteropsins B-D, sponge-derived knottins with potential utility as a novel scaffold for oral peptide drugs." Biochim. Biophys. Acta 1840, 977-984 (2014).
PubMed: 24225326

Assembly members:

Assembly members:
ABU8-2, polymer, 37 residues, 3905.378 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):
ABU8-2: XGCAFEGESCNVEFYPCCPG LGLTCIPGNPDGTCYYL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	118
1H chemical shifts	339

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ASTEROPSIN B FROM MARINE SPONGE ASTEROPUS	1

Entities:

Entity 1, ASTEROPSIN B FROM MARINE SPONGE ASTEROPUS 37 residues - 3905.378 Da.

1

PCA

GLY

CYS

ALA

PHE

GLU

GLY

GLU

SER

CYS

2

ASN

VAL

GLU

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:

sample_ABU8-2: ABU8-2 10 mM; DMSO-d6 100%

ABU8-2_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	sample_ABU8-2	isotropic	ABU8-2_conditions_1
2D 1H-1H TOCSY	sample_ABU8-2	isotropic	ABU8-2_conditions_1
2D 1H-1H NOESY	sample_ABU8-2	isotropic	ABU8-2_conditions_1
2D 1H-13C HSQC	sample_ABU8-2	isotropic	ABU8-2_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