BMRB Entry 20004

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20004

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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:

NMR Solution Structure of Leucine-Enkephlain in DMPC+CHAPS (1:4) bicelles in 90% H2O/10% D2O of pH 6.6 at 298K

Deposition date:

2007-12-27

Original release date:

2008-05-27

Authors:

Mukhopadhyay, Chaitali; Gayen, Anindita

Citation:

Citation: Gayen, Anindita; Mukhopadhyay, Chaitali. "Evidence for Effect of GM1 on Opioid Peptide Conformation: NMR Study on Leucine Enkephalin in Ganglioside-Containing Isotropic Phospholipid Bicelles" Langmuir 24, 5422-5432 (2008).
PubMed: 18412380

Assembly members:

Assembly members:
Leu-Enkephalin, polymer, 5 residues, 555.62 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Leu-Enkephalin: YGGFL

Data sets:

assigned_chemical_shifts
- chemicalshift_dmpcbicelle

Data type	Count
13C chemical shifts	24
1H chemical shifts	28
coupling constants	2

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Leu-enkephalin	1

Entities:

Entity 1, Leu-enkephalin 5 residues - 555.62 Da.

TYROSINE 1 GLYCINE 2 GLYCINE 3 PHENYLALANINE 4 LEUCINE 5

1

TYR

GLY

PHE

LEU

Samples:

Leu-Enkephalin_in_isotropic_DMPC+CHAPS_(1:4)_bicelles_with_peptide:lipid_1:13: Leu-Enkephalin 4-5 mM; DMPC+CHAPS 4 % w/v

bicelles: pH: 6.6 na; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	Leu-Enkephalin_in_isotropic_DMPC+CHAPS_(1:4)_bicelles_with_peptide:lipid_1:13	isotropic	bicelles
2D 1H-1H NOESY	Leu-Enkephalin_in_isotropic_DMPC+CHAPS_(1:4)_bicelles_with_peptide:lipid_1:13	isotropic	bicelles
2D DQF-COSY	Leu-Enkephalin_in_isotropic_DMPC+CHAPS_(1:4)_bicelles_with_peptide:lipid_1:13	isotropic	bicelles
2D 1H-13C HSQC	Leu-Enkephalin_in_isotropic_DMPC+CHAPS_(1:4)_bicelles_with_peptide:lipid_1:13	isotropic	bicelles

Software:

xwinnmr v3.75, Bruker Biospin, Goddard, Schwieters, Kuszewski, Tjandra and Clore - collection, data analysis, refinement

NMR spectrometers:

Bruker DRX 500 MHz