BMRB: 6068

Solution structure of porcine peptide YY (pPYY) in solution and bound to DPC micelles

Authors

Zerbe, O., Lerch, M., Mayrhofer, M.

Assembly

Peptide YY

Entity

1. Peptide YY (polymer, Thiol state: not present), 37 monomers, 4239.639 Da Detail

YPAKPEAPGE DASPEELSRY YASLRHYLNL VTRQRYX

Formula weight

4239.639 Da

Source organism

Sus scrofa

Exptl. method

NMR

Refine. method

Calculation of structure by torsion angle dynamics; refinement by energy minimization with full force-field in explicit water

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete1

Sequence coverage: 97.3 %, Completeness: 98.1 %, Completeness (bb): 98.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	98.1 % (255 of 260)	99.1 % (224 of 226)	91.2 % (31 of 34)
Backbone	98.0 % (99 of 101)	98.6 % (68 of 69)	96.9 % (31 of 32)
Sidechain	98.1 % (156 of 159)	99.4 % (156 of 157)	0.0 % (0 of 2)
Aromatic	100.0 % (22 of 22)	100.0 % (22 of 22)
Methyl	100.0 % (15 of 15)	100.0 % (15 of 15)

1. Peptide YY

YPAKPEAPGE DASPEELSRY YASLRHYLNL VTRQRYX

Show sample condition

Sample #1

Pressure 1 atm, Temperature 301 K, pH 4.2

#	Name	Isotope labeling	Type	Concentration
1	Peptide YY			2 mM
2	H2O			90 %
3	D2O			10 %

Sample #2

Pressure 1 atm, Temperature 301 K, pH 4.2

#	Name	Isotope labeling	Type	Concentration
4	Peptide YY			2 mM
5	D2O			99 %

Sample #3

Pressure 1 atm, Temperature 301 K, pH 4.2

#	Name	Isotope labeling	Type	Concentration
6	Peptide YY	[U-15N]		1 mM
7	H2O			90 %
8	D2O			10 %

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Chem. Shift Complete2

Sequence coverage: 97.3 %, Completeness: 91.5 %, Completeness (bb): 84.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	91.5 % (476 of 520)	97.3 % (440 of 452)	52.9 % (36 of 68)
Backbone	84.7 % (171 of 202)	97.8 % (135 of 138)	56.3 % (36 of 64)
Sidechain	95.9 % (305 of 318)	97.1 % (305 of 314)	0.0 % (0 of 4)
Aromatic	100.0 % (44 of 44)	100.0 % (44 of 44)
Methyl	100.0 % (30 of 30)	100.0 % (30 of 30)

1. Peptide YY

YPAKPEAPGE DASPEELSRY YASLRHYLNL VTRQRYX

Show sample condition

Sample #1

Pressure 1 atm, Temperature 310 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
9	Peptide YY			2 mM
10	d38-DPC			300 mM
11	H2O			90 %
12	D2O			10 %

Sample #2

Pressure 1 atm, Temperature 310 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
13	Peptide YY			2 mM
14	d38-DPC			300 mM
15	D2O			99 %

Sample #3

Pressure 1 atm, Temperature 310 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
16	Peptide YY	[U-15N]		1 mM
17	d38-DPC			300 mM
18	H2O			90 %
19	D2O			10 %

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Protein Blocks Logo

Calculated from 20 models in PDB: 1RUU, Strand ID: A Detail

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Coupling constant

62 J values in 2 lists
Pressure 1 atm, Temperature 310 K, 301 K, pH 4.2, 5.5 Detail

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Pressure 1 atm, Temperature 301 K, pH 4.2

List #1 coupling_constants_set_1

Pressure 1 atm, Temperature 310 K, pH 5.5

List #2 coupling_constants_set_2

Release date

2008-07-16

Citation

Structural similarities of micelle-bound peptide YY (PYY) and neuropeptide Y (NPY) are related to their affinity profiles at the Y receptors
Lerch, M., Mayrhofer, M., Zerbe, O.
J. Mol. Biol. (2004), 339, 1153-1168, PubMed 15178255 , DOI 10.1016/j.jmb.2004.04.032 , Abstract

Related entities 1. Peptide YY, : 1 : 10 : 111 entities Detail

Interaction partners 1. Peptide YY, : 5 interactors Detail

Experiments performed 2 experiments Detail