BMRB Entry 15294

Name: Backbone 1H Chemical Shift Assignments for N-Me-Val1/N-Me-Leu8/N-Me-Ser14
Published: 2009-02-09

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15294

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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:

Backbone 1H Chemical Shift Assignments for N-Me-Val1/N-Me-Leu8/N-Me-Ser14

Deposition date:

2007-06-07

Original release date:

2009-02-09

Authors:

Sabo, Jennifer; Harris, Karen; Coley, Andrew; Karas, John; Casey, Joanne; Tan, Yen Yee; Norton, Raymond; Hughes, Andrew; Scanlon, Denis; Foley, Michael

Citation:

Citation: Harris, Karen; Casey, Joanne; Coley, Andrew; Karas, John; Sabo, Jennifer; Tan, Yen Yee; Dolezal, Olan; Norton, Raymond; Hughes, Andrew; Scanlon, Denis; Foley, Michael. "Rapid optimization of a peptide inhibitor of malaria parasite invasion by comprehensive N-methyl scanning." J. Biol. Chem. 284, 9361-9371 (2009).
PubMed: 19164290

Assembly members:

Assembly members:
N-Me-Val1/N-Me-Leu8/N-Me-Ser14, polymer, 20 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):
N-Me-Val1/N-Me-Leu8/N-Me-Ser14: XFAEFLPXFSKFGXRMHILK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	136

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	N-Val1/N-Me-Leu8/N-Me-Ser14	1

Entities:

Entity 1, N-Val1/N-Me-Leu8/N-Me-Ser14 20 residues - Formula weight is not available

Methylation of backbone amide for Val1/Leu8/Ser14

1		MNV	PHE	ALA	GLU	PHE	LEU	PRO	2ML	PHE	SER
2		LYS	PHE	GLY	MethylSER	ARG	MET	HIS	ILE	LEU	LYS

Samples:

sample_1: N-Me-Val1/N-Me-Leu8/N-Me-Ser14 1.7 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 4.7; pressure: 1 atm; temperature: 278 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v1.3, Bruker Biospin - collection, processing

NMR spectrometers:

Bruker DRX 600 MHz