BMRB: 20117

Substance P 40 structures in water pH 5.5 298 K NMR DATA & STRUCTURES

Authors

Gayen, A., Mukhopadhyay, C.

Assembly

Substance P in DMPC/CHAPS/GM1 bicelles

Entity

1. Substance P in DMPC/CHAPS/GM1 bicelles (polymer, Thiol state: not present), 11 monomers, 1348.612 Da Detail

RPKPQQFFGL M

Formula weight

1348.612 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular dynamics, simulated annealing

Data set

assigned_chemical_shifts, conformer_family_coord_set

Chem. Shift Complete

Sequence coverage: 90.9 %, Completeness: 88.1 %, Completeness (bb): 85.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	88.1 % (74 of 84)	88.1 % (74 of 84)
Backbone	85.7 % (18 of 21)	85.7 % (18 of 21)
Sidechain	88.9 % (56 of 63)	88.9 % (56 of 63)
Aromatic	100.0 % (10 of 10)	100.0 % (10 of 10)
Methyl	100.0 % (2 of 2)	100.0 % (2 of 2)

1. Substance P

RPKPQQFFGL M

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Sample

Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 5.5, Details q=0.25 pH 5.5 298K

#	Name	Isotope labeling	Type	Concentration
1	Substance P	natural abundance		3.92 mM
2	DMPC	natural abundance		18.50 mM
3	CHAPS	natural abundance		74.00 mM
4	GM1	natural abundance		5.55 mM

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Calculated from 5 models in PDB: 2KSB, Strand ID: B Detail

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Release date

2010-10-26

Citation

NMR evidence of GM1-induced conformational change of Substance P using isotropic bicelles
Gayen, A., Goswami, S., Mukhopadhyay, C.
Biochim. Biophys. Acta (2011), 1808, 127-139, PubMed 20937248 , DOI 10.1016/j.bbamem.2010.09.023 , Abstract

Related entities 1. Substance P in DMPC/CHAPS/GM1 bicelles, : 1 : 20 : 1 entities Detail

Interaction partners 1. Substance P in DMPC/CHAPS/GM1 bicelles, : 9 interactors Detail

Experiments performed 3 experiments Detail