BMRB: 18644

NMR solution structure of PawS Derived Peptide 5 (PDP-5)

Authors

Elliott, A.G., Mylne, J.S., Rosengren, J.K.

Assembly

PawS Derived Peptide 5 (PDP-5)

Entity

1. PawS Derived Peptide 5 (PDP-5) (polymer), 18 monomers, 2258.671 Da Detail

GRYRRCIPGM FRAYCYMD

Formula weight

2258.671 Da

Source organism

Heliopsis helianthoides var. scabra

Exptl. method

solution NMR

Refine. method

simulated annealing, Torsion-Angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 79.9 %, Completeness (bb): 77.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C
All	79.9 % (163 of 204)	100.0 % (118 of 118)	52.3 % (45 of 86)
Backbone	77.5 % (69 of 89)	100.0 % (37 of 37)	61.5 % (32 of 52)
Sidechain	82.4 % (108 of 131)	100.0 % (81 of 81)	54.0 % (27 of 50)
Aromatic	50.0 % (17 of 34)	100.0 % (17 of 17)	0.0 % (0 of 17)
Methyl	100.0 % (6 of 6)	100.0 % (3 of 3)	100.0 % (3 of 3)

1. PDP-5

GRYRRCIPGM FRAYCYMD

Show sample condition

Sample #1

Solvent system 20 mM Sodium phosphate/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1

#	Name	Isotope labeling	Type	Concentration
1	PDP-5	natural abundance		2 mg/mL
2	Sodium phosphate	natural abundance		20 mM
3	D2O	natural abundance		10 %

Sample #2

Solvent system 90% D2O / 10% DMSO, Pressure 1 atm, Temperature 298 K, pH 6.1

#	Name	Isotope labeling	Type	Concentration
4	PDP-5	natural abundance		2 mg/mL
5	DMSO	natural abundance		10 %
6	D2O	natural abundance		90 %

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Calculated from 20 models in PDB: 2LWT, Strand ID: A Detail

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Release date

2013-08-14

Citation

Evolutionary origins of a bioactive peptide buried within Preproalbumin
Elliott, A.G., Delay, C., Liu, H., Phua, Z., Rosengren, K., Benfield, A.H., Panero, J.L., Colgrave, M.L., Jayasena, A.S., Dunse, K.M., Anderson, M.A., Schilling, E.E., Ortiz-Barrientos, D., Craik, D.J., Mylne, J.S.
Plant Cell (2014), 26, 981-995, PubMed 24681618 , DOI 10.1105/tpc.114.123620 , Abstract

Related entities 1. PawS Derived Peptide 5 (PDP-5), : 1 entities Detail

Experiments performed 7 experiments Detail