BMRB Entry 20116

Name: Substance P in DMPC:CHAPS q=0.25 bicelles
Published: 2010-10-27

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PDB ID: 2ksa
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR20116
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Substance P in DMPC:CHAPS q=0.25 bicelles PubMed: 20937248

Deposition date: 2009-12-31 Original release date: 2010-10-27

Authors: Gayen, Anindita; Mukhopadhyay, Chaitali

Citation: Gayen, Anindita; Goswami, Sudipto Kishore; Mukhopadhyay, Chaitali. "NMR evidence of GM1-induced conformational change of Substance P using isotropic bicelles." Biochim. Biophys. Acta 1808, 127-139 (2011).

Assembly members:
Substance_P, polymer, 11 residues, Formula weight is not available

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

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):
Substance_P: RPKPQQFFGLM

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
conformer_family_coord_set
- ensemble_coordinates

Data type	Count
1H chemical shifts	88

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Substance P	1

Entities:

Entity 1, Substance P 11 residues - Formula weight is not available

1

ARG

PRO

LYS

PRO

GLN

PHE

GLY

LEU

2

MET

Samples:

Substance_P_in_bicelle: Substance P 3.7 mM; DMPC/CHAPS bicelles 92.5 mM; H2O mM

bicellar_solution: pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	Substance_P_in_bicelle	isotropic	bicellar_solution
2D 1H-1H NOESY	Substance_P_in_bicelle	isotropic	bicellar_solution
2D DQF-COSY	Substance_P_in_bicelle	isotropic	bicellar_solution

Software:

X-PLOR NIH, Charles Schwieters - refinement, structure solution

NMR spectrometers:

Bruker DRX 500 MHz