BMRB: 15145

1H, Chemical Shift Assignments for neurotensin in HFIP:H20 (80:20), TFE:D20(80:20), and DPC micelles

Authors

Monti, J., Coutant, J., Curmi, P.A.

Assembly

neurotensin

Entity

1. neurotensin (polymer, Thiol state: not present), 13 monomers, 1672.924 Da Detail

XLYENKPRRP YIL

Formula weight

1672.924 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 92.3 %, Completeness: 98.9 %, Completeness (bb): 95.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	98.9 % (90 of 91)	98.9 % (90 of 91)
Backbone	95.5 % (21 of 22)	95.5 % (21 of 22)
Sidechain	100.0 % (69 of 69)	100.0 % (69 of 69)
Aromatic	100.0 % (8 of 8)	100.0 % (8 of 8)
Methyl	100.0 % (6 of 6)	100.0 % (6 of 6)

1. neurotensin

XLYENKPRRP YIL

Show sample condition

Sample

Pressure 1 atm, Temperature 293 K, Details HFIP:D2O (80:20).

#	Name	Isotope labeling	Type	Concentration
1	neurotensin	natural abundance		5 mM
2	HFIP	natural abundance		80 %
3	D2O	[U-2H]		20 %

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Chem. Shift Complete2

Sequence coverage: 92.3 %, Completeness: 99.5 %, Completeness (bb): 97.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	99.5 % (181 of 182)	99.5 % (181 of 182)
Backbone	97.7 % (43 of 44)	97.7 % (43 of 44)
Sidechain	100.0 % (138 of 138)	100.0 % (138 of 138)
Aromatic	100.0 % (16 of 16)	100.0 % (16 of 16)
Methyl	100.0 % (12 of 12)	100.0 % (12 of 12)

1. neurotensin

XLYENKPRRP YIL

Show sample condition

Sample #1

Pressure 1 atm, Temperature 293 K, Details HFIP:D2O (80:20).

#	Name	Isotope labeling	Type	Concentration
1	neurotensin	natural abundance		5 mM
2	HFIP	natural abundance		80 %
3	D2O	[U-2H]		20 %

Sample #2

Pressure 1 atm, Temperature 293 K, Details TFE:D20(80:20).

#	Name	Isotope labeling	Type	Concentration
4	neurotensin	natural abundance		5 mM
5	TFE	natural abundance		80 %
6	D2O	[U-2H]		20 %

Sample #3

Pressure 1 atm, Temperature 293 K, Details DPC micelles.

#	Name	Isotope labeling	Type	Concentration
7	neurotensin	natural abundance		5 mM
8	DPC	natural abundance		0.0 ~ 0.0 mM

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Chem. Shift Complete3

Sequence coverage: 92.3 %, Completeness: 99.6 %, Completeness (bb): 98.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	99.6 % (272 of 273)	99.6 % (272 of 273)
Backbone	98.5 % (65 of 66)	98.5 % (65 of 66)
Sidechain	100.0 % (207 of 207)	100.0 % (207 of 207)
Aromatic	100.0 % (24 of 24)	100.0 % (24 of 24)
Methyl	100.0 % (18 of 18)	100.0 % (18 of 18)

1. neurotensin

XLYENKPRRP YIL

Show sample condition

Sample #1

Pressure 1 atm, Temperature 283 K, pH 6.4, Details HFIP:D2O (80:20).

#	Name	Isotope labeling	Type	Concentration
1	neurotensin	natural abundance		5 mM
2	HFIP	natural abundance		80 %
3	D2O	[U-2H]		20 %

Sample #2

Pressure 1 atm, Temperature 283 K, pH 6.4, Details TFE:D20(80:20).

#	Name	Isotope labeling	Type	Concentration
4	neurotensin	natural abundance		5 mM
5	TFE	natural abundance		80 %
6	D2O	[U-2H]		20 %

Sample #3

Pressure 1 atm, Temperature 283 K, pH 6.4, Details DPC micelles.

#	Name	Isotope labeling	Type	Concentration
7	neurotensin	natural abundance		5 mM
8	DPC	natural abundance		0.0 ~ 0.0 mM

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Protein Blocks Logo

Calculated from 15 models in PDB: 2OYW, Strand ID: A Detail

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Release date

2007-06-04

Citation

NMR solution structure of neurotensin in membrane-mimetic environments: molecular basis for neurotensin receptor recognition
Coutant, J., Curmi, P., Toma, F., Monti, J.
Biochemistry (2007), 46, 5656-5663, PubMed 17441729 , DOI 10.1021/bi602567p , Abstract

Related entities 1. neurotensin, : 1 : 17 entities Detail

Interaction partners 1. neurotensin, : 2 interactors Detail

Experiments performed 6 experiments Detail