BMRB: 5405

STRUCTURE OF SYNTHETIC 26-MER PEPTIDE CONTAINING 145-169 SHEEP PRION PROTEIN SEGMENT AND C-TERMINAL CYSTEINE IN TFE SOLUTION

Authors

Megy, S., Bertho, G., Coadou, G., Kozin, S.A., Debey, P., Hui Bon Hoa, G., Girault, J.

Assembly

peptide n3

Entity

1. peptide n3 (polymer, Thiol state: all free), 26 monomers, 3427.695 Da Detail

GNDYEDRYYR ENMYRYPNQV YYRPVC

Formula weight

3427.695 Da

Source organism

Ovis aries

Exptl. method

NMR

Refine. method

simulated annealing using torsion angle dynamics as implemented in the program CNS

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 99.4 %, Completeness (bb): 98.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	99.4 % (175 of 176)	99.4 % (175 of 176)
Backbone	98.0 % (50 of 51)	98.0 % (50 of 51)
Sidechain	100.0 % (125 of 125)	100.0 % (125 of 125)
Aromatic	100.0 % (28 of 28)	100.0 % (28 of 28)
Methyl	100.0 % (4 of 4)	100.0 % (4 of 4)

1. Major Prion Protein

GNDYEDRYYR ENMYRYPNQV YYRPVC

Show sample condition

Sample

Pressure 1 atm, Temperature 278 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Major Prion Protein			4.5 mM
2	sodium phosphate			10 mM
3	TFE			87 %
4	D2O			13 %

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Calculated from 20 models in PDB: 1M25, Strand ID: A Detail

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Coupling constant

22 J values in 1 lists
Pressure 1 atm, Temperature 278 K, pH 6.5 Detail

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Pressure 1 atm, Temperature 278 K, pH 6.5

List #1 coupling_constant_set_TFE

Release date

2002-06-26

Citation

Structural duality of a peptide fragment from sheep prion protein spanning helix 1 and beta-strand 2: a potential nucleation site for conformational transition to PrPSc
Megy, S., Bertho, G., Coadou, G., Kozin, S.A., Debey, P., Hui Bon Hoa, G., Girault, J.

Related entities 1. peptide n3, : 1 : 1 : 49 : 99 entities Detail

Interaction partners 1. peptide n3, : 1 interactors Detail

Experiments performed 6 experiments Detail