BMRB Entry 18784

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

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PDB ID: 2lzy
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18784
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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 C FROM A MARINE SPONGE ASTEROPUS SP.

Deposition date:

2012-10-12

Original release date:

2013-10-21

Authors:

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

Citation:

Citation: Temel, Deniz; Dutta, Kaushik; Ghose, Ranajeet. "Sequence-specific backbone (1)H, (13)C and (15)N assignments of the catalytic domain of the Escherichia coli protein tyrosine kinase, Wzc." Biomol. NMR Assignments ., .-. (2012).
PubMed: 23225198

Assembly members:

Assembly members:
ABU8-3, polymer, 35 residues, 3773.257 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ABU8-3: XDCPGEGEQCDVEFNPCCPP LTCIPGDPYGICYII

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	114
1H chemical shifts	222

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ABU8-3	1

Entities:

Entity 1, ABU8-3 35 residues - 3773.257 Da.

1

PCA

ASP

CYS

PRO

GLY

GLU

GLY

GLU

GLN

CYS

2

ASP

VAL

GLU

PHE

ASN

PRO

CYS

PRO

3

LEU

THR

CYS

ILE

PRO

GLY

ASP

PRO

TYR

GLY

4

ILE

CYS

TYR

ILE

Samples:

sample_1: ABU8-3 10 mM; CD3OH 100%

ABU8-3_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	sample_1	isotropic	ABU8-3_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	ABU8-3_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	ABU8-3_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	ABU8-3_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	ABU8-3_conditions_1

Software:

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

NMR spectrometers:

Varian INOVA 900 MHz
Varian INOVA 500 MHz