BMRB Entry 17533

Name: Solution structure of the Sex Peptide from Drosophila melanogaster
Published: 2011-05-03

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PDB ID: 2laq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17533
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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 structure of the Sex Peptide from Drosophila melanogaster

Deposition date:

2011-03-17

Original release date:

2011-05-03

Authors:

Moehle, Kerstin; Freund, Annabelle; Robinson, John

Citation:

Citation: Moehle, Kerstin; Freund, Annabelle; Kubli, Eric; Robinson, John. "NMR studies of the solution conformation of the sex peptide from Drosophila melanogaster." FEBS Lett. 585, 1197-1202 (2011).
PubMed: 21439282

Assembly members:

Assembly members:
entity, polymer, 36 residues, 4435.077 Da.

Natural source:

Natural source: Common Name: fruit fly Taxonomy ID: 7227 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Drosophila melanogaster

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: WEWPWNRKXTKFXIXSXNXR DKWCRLNLGPAWGGRC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	77
15N chemical shifts	36
1H chemical shifts	251

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Sex Peptide from Drosophila melanogaster	1

Entities:

Entity 1, Sex Peptide from Drosophila melanogaster 36 residues - 4435.077 Da.

1

TRP

GLU

TRP

PRO

TRP

ASN

ARG

LYS

HYP

THR

2

LYS

PHE

HYP

ILE

HYP

SER

HYP

ASN

HYP

ARG

3

ASP

LYS

TRP

CYS

ARG

LEU

ASN

LEU

GLY

PRO

4

ALA

TRP

GLY

ARG

CYS

Samples:

sample_1: TSP0.7 – 3 mM; H2O 90%; D2O 10%

sample_2: TSP0.7 – 3 mM; D2O 100%

sample_conditions_1: ionic strength: 0 M; pH: 5; pressure: 1 atm; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
2D DQF-COSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1

Software:

XEASY, Bartels et al. - chemical shift assignment, peak picking

TOPSPIN, Bruker Biospin - collection, processing

DYANA, Guntert, Braun and Wuthrich - refinement, structure solution

SPSCAN, Glaser - peak integration

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 700 MHz