BMRB Entry 6792

Name: Conformation of two oppositely functioning Allatostatin peptides for 2D NMR
Published: 2015-04-21

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6792

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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: Conformation of two oppositely functioning Allatostatin peptides for 2D NMR PubMed: 18191874

Deposition date: 2005-08-27 Original release date: 2015-04-21

Authors: Meyerowitz, Eric; Zubkov, Sergey; Mohanty, Smita

Citation: Banerjeea, Monimoy; Meyerowitza, Eric; Huanga, Chengdong; Mohanty, Smita. "Probing the conformation and dynamics of allatostatin neuropeptides: a structural model for functional differences" Peptides 29, 375-385 (2008).

Assembly members:
Dippu Allatostatin 8, polymer, 10 residues, Formula weight is not available

Natural source: Common Name: Pacific Beetle Cockroach Taxonomy ID: 6984 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Diploptera Punctata

Experimental source: Production method: obtained from a vendor

Entity Sequences (FASTA):
Dippu Allatostatin 8: GGSLYSFGLX

Data sets:

assigned_chemical_shifts
- chem_shift_list_1
spectral_peak_list
- 1H-1H_NOESY_Peaklist

Data type	Count
13C chemical shifts	27
1H chemical shifts	54

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Dip-AST8	1

Entities:

Entity 1, Dip-AST8 10 residues - Formula weight is not available

Note that Leu8 is amidated (it has an extra NH2 on its C-terminal side)

1

GLY

SER

LEU

TYR

SER

PHE

GLY

LEU

NH2

Samples:

AST8: Dippu Allatostatin 8 1 ± 0.5 mM; SDS -- Sodium dodecyl sulfate, [U-100% 2H], 30 ± 0.1 mM; water, [U-10% 2H],

conditions_1: temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
DQFCOSY	AST8	not available	conditions_1
TOCSY	AST8	not available	conditions_1
NOESY	AST8	isotropic	conditions_1
1H13C_HMQC	AST8	not available	conditions_1

Software:

No software information available

NMR spectrometers:

Bruker na 600 MHz
Bruker na 700 MHz
Bruker na 600 MHz
Bruker na 500 MHz