BMRB Entry 27756

Name: Assigned 1H NMR Chemical Shifts for endomorphin-1 in 10 mM phosphate pH 7.0
Published: 2020-01-17

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27756

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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:

Assigned 1H NMR Chemical Shifts for endomorphin-1 in 10 mM phosphate pH 7.0

Deposition date:

2019-01-16

Original release date:

2020-01-17

Authors:

Alexandra, Schwartz; Michael, Giuliano; Parnham, Stuart

Citation:

Citation: Schwartz, Alexandra; Jay, Dashiell; Parnham, Stuart; Giuliano, Michael. "Sequential and Environmental Dependence of Conformation in a Small Opioid Peptide" J. Org. Chem. 84, 13299-13312 (2019).
PubMed: 31538782

Assembly members:

Assembly members:
EM-1, polymer, 5 residues, Formula weight is not available

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
EM-1: YPWFX

Data sets:

assigned_chemical_shifts

Data type	Count
1H chemical shifts	84

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Endomorphin-1	1

Entities:

Entity 1, Endomorphin-1 5 residues - Formula weight is not available

1

TYR

PRO

TRP

PHE

NH2

Samples:

ACS-I-020A: Endomorphin-1 2 mM; D2O, 99.8% D incorporation, 10 % v/v; sodium phosphate 10 mM; H2O 90 % v/v

ACS-I-020A_-_lipids_-_major_conf: Endomorphin-1 2 mM; D2O, 99.8% D incorporation, 10 % v/v; sodium phosphate 10 mM; DMPC-d54/DHPC-d22 bicelles (q=0.5), DMPC-d54 ; DHPC-d22, 15 wt %; H2O 90 % v/v

ACS-I-020A_-_lipids_-_minor_conf: Endomorphin-1 2 mM; D2O, 99.8% D incorporation, 10 % v/v; sodium phosphate 10 mM; DMPC-d54/DHPC-d22 bicelles (q=0.5), DMPC-d54 ; DHPC-d22, 15 wt %; H2O 90 % v/v

sample_conditions_ACS-I-020A: ionic strength: 0.012 M; pH: 7.0; pressure: 1 atm; temperature: 298 K

sample_conditions_ACS-I-020A-lipids-major_conf: pH: 7.0; pressure: 1 atm; temperature: 298 K

sample_conditions_ACS-I-020A-lipids-minor_conf: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	ACS-I-020A	isotropic	sample_conditions_ACS-I-020A
2D 1H-1H COSY	ACS-I-020A	isotropic	sample_conditions_ACS-I-020A
2D 1H-1H ROESY	ACS-I-020A	isotropic	sample_conditions_ACS-I-020A
1D 1H acquisition	ACS-I-020A	isotropic	sample_conditions_ACS-I-020A
2D 1H-1H TOCSY	ACS-I-020A_-_lipids_-_major_conf	isotropic	sample_conditions_ACS-I-020A-lipids-major_conf
2D 1H-1H COSY	ACS-I-020A_-_lipids_-_major_conf	isotropic	sample_conditions_ACS-I-020A-lipids-major_conf
2D 1H-1H NOESY	ACS-I-020A_-_lipids_-_major_conf	isotropic	sample_conditions_ACS-I-020A-lipids-major_conf
1D 1H acquisition	ACS-I-020A_-_lipids_-_major_conf	isotropic	sample_conditions_ACS-I-020A-lipids-major_conf
2D 1H-1H TOCSY	ACS-I-020A_-_lipids_-_minor_conf	isotropic	sample_conditions_ACS-I-020A-lipids-minor_conf
2D 1H-1H COSY	ACS-I-020A_-_lipids_-_minor_conf	isotropic	sample_conditions_ACS-I-020A-lipids-minor_conf
2D 1H-1H NOESY	ACS-I-020A_-_lipids_-_minor_conf	isotropic	sample_conditions_ACS-I-020A-lipids-minor_conf
1D 1H acquisition	ACS-I-020A_-_lipids_-_minor_conf	isotropic	sample_conditions_ACS-I-020A-lipids-minor_conf

Software:

Mestrenova v12.02-20910, Mestrelab Research S.L. - chemical shift assignment

NMR spectrometers:

Bruker Avance II 600 MHz